cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.13145/bacdive16448.20190402.4
title: Streptomyces niveus Smith et al. 1956

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive16449.20190402.4
title: Streptomyces niveus Smith et al. 1956

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive16450.20190402.4
title: Streptomyces niveus Smith et al. 1956

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive17281.20190402.4
title: Vibrio agarivorans Macián et al. 2001

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive17282.20190402.4
title: Vibrio lentus Macián et al. 2001

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive17283.20190402.4
title: Vibrio lentus Macián et al. 2001

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive17284.20190402.4
title: Vibrio lentus Macián et al. 2001

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive17285.20190402.4
title: Vibrio mediterranei Pujalte and Garay 1986

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive17286.20190402.4
title: Vibrio mediterranei Pujalte and Garay 1986

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive17287.20190402.4
title: Vibrio furnissii Brenner et al. 1984

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive17288.20190402.4
title: Vibrio furnissii Brenner et al. 1984

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive17289.20190402.4
title: Vibrio ichthyoenteri Ishimura et al. 1996

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive13259.20190402.4
title: Amycolatopsis nigrescens Groth et al. 2007

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive13260.20190402.4
title: Amycolatopsis saalfeldensis Carlsohn et al. 2007

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive13261.20190402.4
title: Amycolatopsis halotolerans Lee 2006

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive13262.20190402.4
title: Amycolatopsis jejuensis Lee 2006

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive13263.20190402.4
title: Amycolatopsis taiwanensis Tseng et al. 2006

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive13264.20190402.4
title: Amycolatopsis regifaucium Tan et al. 2007

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive13265.20190402.4
title: Amycolatopsis echigonensis Ding et al. 2007

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive13266.20190402.4
title: Amycolatopsis niigatensis Ding et al. 2007

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive13267.20190402.4
title: Amycolatopsis marina Bian et al. 2009

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14065.20190402.4
title: Shewanella baltica Ziemke et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14066.20190402.4
title: Shewanella frigidimarina Bowman et al. 1997

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14067.20190402.4
title: Shewanella gelidimarina Bowman et al. 1997

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14068.20190402.4
title: Shewanella denitrificans Brettar et al. 2002

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14069.20190402.4
title: Shewanella denitrificans Brettar et al. 2002

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14070.20190402.4
title: Shewanella pacifica Ivanova et al. 2004

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14071.20190402.4
title: Shewanella japonica Ivanova et al. 2001

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14072.20190402.4
title: Shewanella profunda Toffin et al. 2004

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14073.20190402.4
title: Shewanella gaetbuli Yoon et al. 2004

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14826.20190402.4
title: Streptococcus constellatus subsp. pharyngis Whiley et al. 1999

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14827.20190402.4
title: Streptococcus castoreus Lawson et al. 2005

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14828.20190402.4
title: Streptococcus orisuis Takada and Hirasawa 2007

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14829.20190402.4
title: Streptococcus pseudoporcinus Bekal et al. 2007

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14830.20190402.4
title: Streptococcus massiliensis Glazunova et al. 2006

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14831.20190402.4
title: Streptococcus pseudopneumoniae Arbique et al. 2005

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14832.20190402.4
title: Streptococcus infantarius subsp. infantarius Schlegel et al. 2003

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14833.20190402.4
title: Streptococcus infantarius subsp. coli Schlegel et al. 2003 emend. Beck et al. 2008

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive14834.20190402.4
title: Streptococcus devriesei Collins et al. 2004

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive15649.20190402.4
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive15650.20190402.4
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive15651.20190402.4
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.48370/ofd/pyrbt4
title: Lophodermium pinastri (Schrad.) Chevall., 3948

description: Fungarium Micromycetes
DOI: 10.5519/qd.7rzrdtj2
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (3 records)
DOI: 10.48370/ofd/ie9z8g
title: Lophodermium pinastri (Schrad.) Chevall., 4164

description: Fungarium Micromycetes
DOI: 10.5281/zenodo.5524454
title: Datasets for ``Leading-order nonlinear gravitational waves from reheating magnetogeneses''

description: <pre>This directory contains an index.html file with links to the run directories with secondary data for Table II of the paper "Leading-order nonlinear gravitational waves from reheating magnetogeneses" by Yutong He, Axel Brandenburg, and Alberto Roper Pol. If anything turns out to be incomplete, please email brandenb@nordita.org.</pre>
DOI: 10.6084/m9.figshare.14932884
title: RF_global_SSM_2000-2019_0.25_degree

description: random forest model based in-situ constrained global surface soil moisture.
DOI: 10.6084/m9.figshare.14932884.v3
title: RF_global_SSM_2000-2019_0.25_degree

description: random forest model based in-situ constrained global surface soil moisture.
DOI: 10.6084/m9.figshare.14932884.v2
title: RF_global_SSM_2000-2019_0.25degree_V1

description: random forest model based in-situ constrained global surface soil moisture.
DOI: 10.14272/mqpkonieqryhfg-xftnxaeasa-n.1
title: (3S,6S,9S,14aR)-6,9-bis((1H-indol-3-yl)methyl)-3-isobutyldecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetraone
title: InChI=1S/C33H38N6O4/c1-19(2)14-26-30(40)36-27(15-20-17-34-24-10-5-3-8-22(20)24)31(41)38-28(16-21-18-35-25-11-6-4-9-23(21)25)33(43)39-13-7-12-29(39)32(42)37-26/h3-6,8-11,17-19,26-29,34-35H,7,12-16H2,1-2H3,(H,36,40)(H,37,42)(H,38,41)/t26-,27-,28-,29+/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C33H38N6O4/c1-19(2)14-26-30(40)36-27(15-20-17-34-24-10-5-3-8-22(20)24)31(41)38-28(16-21-18-35-25-11-6-4-9-23(21)25)33(43)39-13-7-12-29(39)32(42)37-26/h3-6,8-11,17-19,26-29,34-35H,7,12-16H2,1-2H3,(H,36,40)(H,37,42)(H,38,41)/t26-,27-,28-,29+/m0/s1). The datasets from the following experiments are available: high-performance liquid chromatography (HPLC) mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 1H--1H correlation spectroscopy (1H-1H COSY) 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/mqpkonieqryhfg-xftnxaeasa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C33H38N6O4/c1-19(2)14-26-30(40)36-27(15-20-17-34-24-10-5-3-8-22(20)24)31(41)38-28(16-21-18-35-25-11-6-4-9-23(21)25)33(43)39-13-7-12-29(39)32(42)37-26/h3-6,8-11,17-19,26-29,34-35H,7,12-16H2,1-2H3,(H,36,40)(H,37,42)(H,38,41)/t26-,27-,28-,29+/m0/s1

description: dataset for mass spectrometry (MS) MS (m/z, MALDI-TOF): 583 [M+H]+, 605 [M+Na]+, 621 [M+K]+.
DOI: 10.14272/mqpkonieqryhfg-xftnxaeasa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C33H38N6O4/c1-19(2)14-26-30(40)36-27(15-20-17-34-24-10-5-3-8-22(20)24)31(41)38-28(16-21-18-35-25-11-6-4-9-23(21)25)33(43)39-13-7-12-29(39)32(42)37-26/h3-6,8-11,17-19,26-29,34-35H,7,12-16H2,1-2H3,(H,36,40)(H,37,42)(H,38,41)/t26-,27-,28-,29+/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, dimethyl sulfoxide) δ = 173.7 (Cq, CONH), 173.1 (Cq, CONH), 172.0 (Cq, CONH), 169.3 (Cq, CONH), 136.2 (Cq, trp-Car), 136.0 (Cq, trp-Car), 127.0 (Cq, 2 × trp-Car), 123.9 (+, trp-CH), 122.8 (+, trp-CH), 121.2 (+, trp-CH), 120.9 (+, trp-CH), 118.5 (+, trp-CH), 118.2 (+, trp-CH), 118.1 (+, trp-CH), 117.9 (+, trp-CH), 111.5 (+, trp-CH), 111.4 (+, trp-CH), 110.3 (Cq, trp(1)-Car), 109.6 (Cq, trp(1)-Car), 58.7 (+, trp-CαH), 58.0 (+, pro-CαH), 56.8 (+, trp-CαH), 56.2 (+, leu-CαH), 47.7 (–, pro-CδH2), 38.6 (–, leu-CH2), 32.4 (–, pro-CβH2), 27.6 (–, trp-CH2), 27.4 (–, trp-CH2), 24.4 (+, leu-CH), 22.3 (+, leu-CH3), 22.1 (+, leu-CH3), 20.2 (–, pro-CγH2).The spectrum contains multiple signal sets. Chemical shifts of the most prominent isomer are given. Signals of additional isomers, whereby isomer “(2)” is represented in a similar amount and isomer “(3)” represents a minor conformation: 173.3 (Cq, (2)-CON), 173.1 (Cq, (3)-CON), 172.0 (Cq, (2)-CON), 171.8 (Cq, (3)-CON), 171.6 (Cq, (2)-CON), 171.1 (Cq, (3)-CON), 170.8 (Cq, (3)-CON), 170.6 (Cq, (2)-CON), 136.4 (Cq, trp(2)-Car), 136.2 (Cq, trp(2)-Car), 1136.0 (Cq, trp(3)-Car), 127.2 (Cq, trp(2)-Car), 127.1 (Cq, 2 × trp(3)-Car), 126.5 (Cq, trp(2)-Car), 124.0 (+, trp(3)-CH), 123.6 (+, trp(3)-CH), 123.3 (+, trp(2)-CH), 122.9 (+, trp(2)-CH), 121.2 (+, trp(2)-CH), 121.0 (2 × trp(3)-CH), 120.9 (+, trp(2)-CH), 118.5–117.9 (+, 4 × trp(2)-CH, 4 × trp(3)-CH), 111.5–111.4 (+, 2 × trp(2)-CH, 2 × trp(3)-CH), 110.4 (Cq, trp(2)-Car,), 110.1 (Cq, trp(2)-Car), 109.9 (Cq, trp(3)-Car), 109.1 (Cq, trp(3)-Car), 60.0 (+,-leu(3)-CαH), 58.1 (+, trp(2)-CαH), 58.0 (+, trp(3)-CαH), 56.2 (+, trp(2)-CαH), 55.8 (+, pro(2)-CαH), 53.8 (+, pro(3)-CαH), 51.9 (+, trp(3)-CαH), 48.1 (–, pro(2)-CδH2), 45.7 (–, pro(3)-CδH2), 44.9 (+, leu(2)-CαH), 38.8 (–, leu(3)-CH2), 38.2 (–, leu(2)-CH2), 32.3 (–, pro(3)-CβH2), 32.2 (–, pro(2)-CβH2), 26.6 (–, trp(2)-CH2), 25.9 (–, trp(3)-CH2), 25.4 (–, trp(3)-CH2), 25.0 (–, trp(2)-CH2), 24.4 (+, leu(3)-CH), 24.0 (+, leu(2)-CH), 22.4 (+, leu(3)-CH3), leu(1)-CH3), 22.1 (+, leu(2)-CH3, leu(3)-CH3), 22.0 (+, leu(2)-CH3), 21.2 (–, pro(3)-CγH2), 21.0 (–, pro(2)-CγH2).
DOI: 10.14272/mqpkonieqryhfg-xftnxaeasa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C33H38N6O4/c1-19(2)14-26-30(40)36-27(15-20-17-34-24-10-5-3-8-22(20)24)31(41)38-28(16-21-18-35-25-11-6-4-9-23(21)25)33(43)39-13-7-12-29(39)32(42)37-26/h3-6,8-11,17-19,26-29,34-35H,7,12-16H2,1-2H3,(H,36,40)(H,37,42)(H,38,41)/t26-,27-,28-,29+/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, dimethyl sulfoxide-d6, ppm) δ = 10.98–10.75 (m, 2H, 2 × trp-NH), 7.86 (d, J = 5.7 Hz, 1H, leu-NαH), 7.56–7.36 (m, 6H, 2 × trp-NαH, 4 × trp-CH), 7.13–6.93 (m, 6H, 6 × trp-CH), 4.76–4.72 (m, 1H, trp‑CαH), 4.60–4.56 (m, 1H, pro‑CαH), 4.48–4.40 (m, 1H, trp‑CαH), 3.80 (q, J = 7.3 Hz, 1H, leu-CαH), 3.43–3.35 (m, 2H, pro-CδH2), 3.10 (d, J = 7.0 Hz, 2H, trp-CH2), 2.86–2.71 (m, 2H, trp-CH2), 2.23–2.09 (m, 1H, pro-CβHH), 1.85–1.76 (m, 2H, pro-CβHH, pro‑CγHH), 1.65–1.56 (m, 1H, pro‑CγHH), 1.52–1.44 (m, 2H, leu-CH, leu-CHH), 1.42–1.36 (m, 1H, leu-CHH), 0.86 (d, J = 5.7 Hz, 3H, leu-CH3), 0.78 (dd, J = 5.6 Hz, 3H, leu-CH3).The spectrum contains multiple signal sets. Chemical shifts of the most prominent isomer are given. Signals of additional isomers, whereby isomer “(2)” is represented in a similar amount and isomer “(3)” represents a minor conformation: 10.98–10.75 (m, 2 × trp(2)-NH, 2 × trp(3)-NH), 8.55 (dd, J = 6.7, 1.7 Hz, leu(3)-NαH), 8.18 (d, J = 9.9 Hz, leu(2)-NαH), 7.90 (d, J = 10.3 Hz, trp(3)-NαH), 7.80 (d, J = 9.0 Hz, trp(3)-NαH), 7.59 (d, J = 7.9 Hz, trp(3)-CH), 7.56–7.29 (m, 2 × trp(2)-NαH, 4 × trp(2)-CH, 3 × trp(3)-CH), 7.20 (dd, J = 5.8, 2.4 Hz, trp(3)-CH), 7.14–6.92 (m, 6 × trp(2)-CH, 5 × trp(3)-CH), 5.00 (q, J = 8.5 Hz, trp(3)‑CαH), 4.76–4.72 (m, pro(2)‑CαH), 4.61–4.54 (m, trp(2)‑CαH), 4.36 (td, J = 10.5, 4.6 Hz, trp(2)‑CαH), 4.31–4.25 (m, pro(3)‑CαH), 4.24–4.16 (m, leu(2)‑CαH, trp(3)‑CαH), 4.09 (dd, J = 8.4, 3.0 Hz, leu(3)‑CαH), 3.55–3.44 (m, trp(2)-CHH, pro(3)-CδHH), 3.43–3.35 (m, pro(2)-CδH2), 3.34–3.27 (m, trp(2)-CHH), 3.19–3.12 (m, pro(3)-CδHH, trp(2)-CHH, trp(3)-CHH), 3.06–2.99 (m, trp(3)-CHH), 2.86–2.71 (m, trp(2)-CHH, trp(3)-CH2), 2.23–2.09 (m, pro(2)-CβH2, pro(3)-CβH2), 1.94–1.85 (m, pro(2)‑CγHH), 1.85–1.76 (m, pro(2)‑CγHH), 1.74–1.67 (m, pro(3)‑CγH2), 1.52–1.44 (m, leu(3)-CH), 1.43–1.36 (m, leu(3)-CH2), 1.26–1.17 (m, leu(2)-CHH), 1.13–1.01 (m, leu(2)-CH, leu(2)-CHH), 0.83–0.80 (m, 2 × leu(3)-CH3), 0.52 (d, J = 6.2 Hz, leu(2)-CH3), 0.39 (d, J = 6.3 Hz, leu(2)-CH3).
DOI: 10.14272/mqpkonieqryhfg-xftnxaeasa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C33H38N6O4/c1-19(2)14-26-30(40)36-27(15-20-17-34-24-10-5-3-8-22(20)24)31(41)38-28(16-21-18-35-25-11-6-4-9-23(21)25)33(43)39-13-7-12-29(39)32(42)37-26/h3-6,8-11,17-19,26-29,34-35H,7,12-16H2,1-2H3,(H,36,40)(H,37,42)(H,38,41)/t26-,27-,28-,29+/m0/s1

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/mqpkonieqryhfg-xftnxaeasa-n/chmo0001009
title: high-performance liquid chromatography (HPLC) ()
title: InChI=1S/C33H38N6O4/c1-19(2)14-26-30(40)36-27(15-20-17-34-24-10-5-3-8-22(20)24)31(41)38-28(16-21-18-35-25-11-6-4-9-23(21)25)33(43)39-13-7-12-29(39)32(42)37-26/h3-6,8-11,17-19,26-29,34-35H,7,12-16H2,1-2H3,(H,36,40)(H,37,42)(H,38,41)/t26-,27-,28-,29+/m0/s1

description: dataset for high-performance liquid chromatography (HPLC) Analytical HPLC (5–95% acetonitrile + 0.1% TFA in 30 min, detection at 218 nm): tRet = 12.6 min (&gt;99%).
DOI: 10.14272/mqpkonieqryhfg-xftnxaeasa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C33H38N6O4/c1-19(2)14-26-30(40)36-27(15-20-17-34-24-10-5-3-8-22(20)24)31(41)38-28(16-21-18-35-25-11-6-4-9-23(21)25)33(43)39-13-7-12-29(39)32(42)37-26/h3-6,8-11,17-19,26-29,34-35H,7,12-16H2,1-2H3,(H,36,40)(H,37,42)(H,38,41)/t26-,27-,28-,29+/m0/s1

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.6084/m9.figshare.16669234
title: GESS Dataset

description: ACFGs extracted from compiled functions from openssl and binutils
DOI: 10.14272/yahuugigpbsgqz-ytquadarsa-n/chmo0001009
title: high-performance liquid chromatography (HPLC) ()
title: InChI=1S/C23H32N4O4/c1-3-4-12-26-15-20(28)25-18(14-17-9-6-5-7-10-17)21(29)24-16(2)22(30)27-13-8-11-19(27)23(26)31/h5-7,9-10,16,18-19H,3-4,8,11-15H2,1-2H3,(H,24,29)(H,25,28)/t16-,18-,19+/m0/s1

description: dataset for high-performance liquid chromatography (HPLC) Analytical HPLC (5–95% acetonitrile + 0.1% TFA in 30 min, detection at 218 nm): tRet = 11.3 min (92%).
DOI: 10.14272/yahuugigpbsgqz-ytquadarsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C23H32N4O4/c1-3-4-12-26-15-20(28)25-18(14-17-9-6-5-7-10-17)21(29)24-16(2)22(30)27-13-8-11-19(27)23(26)31/h5-7,9-10,16,18-19H,3-4,8,11-15H2,1-2H3,(H,24,29)(H,25,28)/t16-,18-,19+/m0/s1

description: dataset for mass spectrometry (MS) MS (m/z, MALDI-TOF): 429 [M+H]+, 451 [M+Na]+, 467 [M+K]+.
DOI: 10.14272/yahuugigpbsgqz-ytquadarsa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C23H32N4O4/c1-3-4-12-26-15-20(28)25-18(14-17-9-6-5-7-10-17)21(29)24-16(2)22(30)27-13-8-11-19(27)23(26)31/h5-7,9-10,16,18-19H,3-4,8,11-15H2,1-2H3,(H,24,29)(H,25,28)/t16-,18-,19+/m0/s1

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/yahuugigpbsgqz-ytquadarsa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C23H32N4O4/c1-3-4-12-26-15-20(28)25-18(14-17-9-6-5-7-10-17)21(29)24-16(2)22(30)27-13-8-11-19(27)23(26)31/h5-7,9-10,16,18-19H,3-4,8,11-15H2,1-2H3,(H,24,29)(H,25,28)/t16-,18-,19+/m0/s1

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/yahuugigpbsgqz-ytquadarsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C23H32N4O4/c1-3-4-12-26-15-20(28)25-18(14-17-9-6-5-7-10-17)21(29)24-16(2)22(30)27-13-8-11-19(27)23(26)31/h5-7,9-10,16,18-19H,3-4,8,11-15H2,1-2H3,(H,24,29)(H,25,28)/t16-,18-,19+/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, acetonitrile-d3, ppm): δ = 7.41–7.33 (m, 1H, phe-NαH), 7.32–7.16 (m, 6H, 5 × phe-CH, ala-NαH), 5.07–4.88 (m, 1H, phe-CαH), 4.51–4.37 (m, 1H, pro-CαH), 4.00–3.86 (m, 1H, ala-CαH), 3.82–3.69 (m, 2H, COCHHN, N3m-C1HH), 3.59–3.39 (m, 3H, pro-CδH2, COCHHN), 3.23 (dd, J = 13.5, 7.5 Hz, 1H, phe-CHH), 2.79–2.72 (m, 1H, phe-CHH), 2.68–2.58 (m, 1H, N3m-C1HH), 2.36–2.23 (m, 1H, pro-CβHH), 2.15–2.04 (m, 1H, pro-CγHH), 1.94–1.83 (m, 2H, pro-CβHH, pro-CγHH), 1.54–1.41 (m, 2H, N3m-C2H2), 1.35–1.26 (m, 2H, N3m-C3H2), 1.25 (d, J = 6.9 Hz, 3H, ala-CH3), 0.93 (t, J = 7.3 Hz, 3H, N3m-CH3).The spectrum contains multiple signal sets. Chemical shifts of the most prominent isomer are given. Signals of the additional isomer “(2)” which is represented in about one sixth the amount of the dominant isomer: 1H NMR (500 MHz, acetonitrile-d3, ppm): δ = 7.56 (d, J = 8.9 Hz, phe-(2)-NαH), 7.41–7.16 (m, ala(2)-NαH, 5 × phe(2)-CH), 4.76–4.70 (m, ala(2)-CαH), 4.70–4.62 (m, phe(2)-CαH, pro(2)-CαH), 4.34 (d, J = 16.9 Hz, N3m(2)-C1HH), 4.00–3.86 (m, (2)-COCH2N), 3.59–3.36 (m, pro(2)-CδH2), 3.23 (dd, J = 13.5, 7.5 Hz, phe(2)-CH2), 2.24–2.13 (m, pro(2)-CβHH), 1.94–1.83 (m, pro(2)-CβHH), 1.54–1.41 (m, N3m(2)-C2H2), 1.35–1.26 (m, ala(2)-CH3, N3m(2)-C3H2), 0.87 (t, J = 7.5, 1.7 Hz, N3m(2)-CH3).