Compound: Stallimycin
SMILES: O=C(Nc1cn(C)c(c1)C(=O)NCCC(=N)N)c2n(cc(c2)NC(=O)c3n(cc(c3)NC=O)C)C
InChIKey: UPBAOYRENQEPJO-UHFFFAOYSA-N
Synonyms: Stallimycin, distamycin a, 636-47-5, Herperetin, Distamycin 3, NSC82150, NSC-82150, DTXSID9045637, 80O63P88IS, N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide, DTXCID7025637, 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-(formylamino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, 1H-Pyrrole-2-carboxamide, N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl-, N-(5-((5-((3-amino-3-iminopropyl)carbamoyl)-1-methylpyrrol-3-yl)carbamoyl)-1-methylpyrrol-3-yl)-4-formamido-1-methylpyrrole-2-carboxamide, RefChem:185322, Distamycin, Estalimicina, Stallimycine, Stallimycin [INN], DST-A, FI 6426, CHEMBL11252, NCGC00018292-04, NSC 150528, Stallimicina, Stallimycinum, Distamicina A, DISTAMYCIN HYDROCHLORIDE, NSC150528, Stallimicina [DCIT], Distamicina A [Italian], Stallimycine [INN-French], Stallimycinum [INN-Latin], Estalimicina [INN-Spanish], UNII-80O63P88IS, NSC 82150, BRN 0468437, Dst-3, DISTAMYCIN A [MI], DISTAMYCIN; STALLIMYCIN, SCHEMBL108585, orb1983502, cid_6602691, UPBAOYRENQEPJO-UHFFFAOYSA-N, Tox21_110857, BDBM50055659, CCG-36393, N''-(2-Amidinoethyl)-4-formamido-1,1',1''-trimethyl-N-4':N'-4''-ter-(2-pyrrolcarboxamid), NCGC00018292-01, NCGC00018292-02, NCGC00018292-03, NCGC00018292-05, NCGC00024382-03, CAS-636-47-5, DA-59926, NCI60_041805, HY-112058, CS-0043221, NS00011743, SR-01000000269, SR-01000000269-3, Q27269162, N,4''-Ter[pyrrole-2-carboxamide], N''-(2-amidinoethyl)-4-formamido-1,1',1''-trimethyl-, (N,4':N',4''-Terpyrrole)-2-carboxamide, N''-(2-amidinoethyl)-4-formamido-1,1',1''-trimethyl-, 1H-Pyrrole-2-carboxamide,N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl-, 2N-(3,3-aminoiminopropyl)-4-[4-(4-formamido-1-methyl-1H-2-pyrrolylcarboxamido)-1-methyl-1H-2-pyrrolylcarboxamido]-1-methyl-1H-2-pyrrolecarboxamide, 2N-[5-(3-amino-3-iminopropylcarbamoyl)-1-methyl-1H-3-pyrrolyl]-4-(4-formamido-1-methyl-1H-2-pyrrolylcarboxamido)-1-methyl-1H-2-pyrrolecarboxamide, 2N-[5-(3-amino-3-iminopropylcarbamoyl)-1-methyl-1H-3-pyrrolyl]-4-(4-formamido-1-methyl-1H-2-pyrrolylcarboxamido)-1-methyl-1H-2-pyrrolecarboxamide(distamycin A), 2N-[5-(3-amino-3-iminopropylcarbamoyl)-1-methyl-1H-3-pyrrolyl]-4-(4-formamido-1-methyl-1H-2-pyrrolylcarboxamido)-1-methyl-1H-2-pyrrolecarboxamide(Distamycin), 4N-[5-(3-amino-3-iminopropylcarbamoyl)-1-methyl-1H-2-pyrrolyl]-2-(4-formamido-1-methyl-1H-2-pyrrolylcarboxamido)-1-methyl-1H-4-pyrrolecarboxamide, 5N-[5-(3-amino-3-iminopropylcarbamoyl)-1-methyl-2,3-dihydro-1H-3-pyrrolyl]-3-(4-formamido-1-methyl-1H-2-pyrrolylcarboxamido)-1-methyl-2,3-dihydro-1H-5-pyrrolecarboxamide, N''-(2-AMIDINOETHYL)-4-FORMAMIDO-1,1',1''-TRIMETHYL-N,4':N',4''-TER(PYRROLE-2-CARBOXAMIDE), N-(3-amino-3-iminopropyl)-4-(4-(4-formamido-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxamide, N-[5-({5-[(3-amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-(formylamino)-1-methyl-1H-pyrrole-2-carboxamide, N-[5-({5-[(3-Amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-formamido-1-methyl-1H-pyrrole-2-carboxamide, N-[5-[[(3-Amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-4-[[[4-(formylamino)-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1H-pyrrole-2-carboxamide, N-[5-[[(Amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl-4-[[(4-(formylamino)-1-methyl-1H-pyrrol-2yl]carbonyl]amino]-1H-pyrrole-2-carboxamide, N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-formamido-1-methyl-pyrrole-2-carboxamide
Theoretical properties:
molecular_formula: C22H27N9O4
molecular_weight: 481.5 g/mol
exact_mass: 481.21860038 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 6
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 9
heavy_atom_count: 35
topological_polar_surface_area: 181 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: STALLIMYCIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
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