Compound: EPELSIBAN
SMILES: O=C1N([C@@H](C(=O)N[C@@H]1C2Cc3ccccc3C2)[C@H](CC)C)[C@H](c4c(nc(C)cc4)C)C(=O)N5CCOCC5
InChIKey: UWHCWRQFNKUYCG-QUZACWSFSA-N
Synonyms: EPELSIBAN, 872599-83-2, T2EZ19HX73, (3R,6R)-3-(2,3-Dihydro-1H-inden-2-yl)-1-((1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl)-6-((1S)-1-methylpropyl)-2,5-piperazinedione, 2,5-PIPERAZINEDIONE, 3-(2,3-DIHYDRO-1H-INDEN-2-YL)-1-((1R)-1-(2,6-DIMETHYL-3-PYRIDINYL)-2-(4-MORPHOLINYL)-2-OXOETHYL)-6-((1S)-1-METHYLPROPYL)-, (3R,6R)-, epelsibanum, (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione, RefChem:906044, (3R,6R)-6-((2S)-butan-2-yl)-3-(2,3-dihydro-1H-inden-2-yl)-1-((1R)-1-(2,6-dimethylpyridin-3-yl)-2-(morpholin-4-yl)-2-oxoethyl)piperazine-2,5-dione, GSK557296, Epelsiban [USAN], GSK-557296, GSK 557296, (3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethylpyridin-3-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione, Epelsiban (USAN), (3R,6R)-3-(2,3-Dihydro-1H-inden-2-yl)-1-((1R)-1-(2,6-dimethylpyridin-3-yl)-2-(morpholin- 4-yl)-2-oxoethyl)-6-((1S)-1-methylpropyl)piperazine-2,5-dione, 2,5-Piperazinedione, 3-(2,3-dihydro-1H-inden-2-yl)-1-((1R)-1-(2,6-dimethyl-3-pyridinyl)- 2-(4-morpholinyl)-2-oxoethyl)-6-((1S)-1-methylpropyl)-, (3R,6R)-, 3-(2,3-dihydro-1H-inden-2-yl)-1-(1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl)-6-(1-methylpropyl)-2,5-piperazinedione, Epelsiban [USAN:INN], UNII-T2EZ19HX73, EPELSIBAN [INN], EPELSIBAN [WHO-DD], orb1709522, SCHEMBL1597672, CHEMBL2037511, SCHEMBL29384587, SCHEMBL29703890, CHEBI:177448, UWHCWRQFNKUYCG-QUZACWSFSA-N, DTXSID701029864, GLXC-15665, BDBM50384820, AKOS040733331, DB11934, DA-63915, HY-105018, CS-0024708, NS00072998, D10117, Q5382095, (3R,6R)-3-(2,3-DIHYDRO-1H-INDEN-2-YL)-1-((1R)-1-(2,6-DIMETHYLPYRIDIN-3-YL)-2-(MORPHOLIN-4-YL)-2-OXOETHYL)-6-((2S)-BUTAN-2-YL)PIPERAZINE-2,5-DIONE, 3R,6R)-3-(2,3-DIHYDRO-1H-INDEN-2-YL)-1-((1R)-1-(2,6-DIMETHYLPYRIDIN-3-YL)-2-(MORPHOLIN-4-YL)-2-OXOETHYL)-6-((1S)-1-METHYLPROPYL)PIPERAZINE-2,5-DIONE, MORPHOLINE, 4-((2R)-((3R,6R)-3-(2,3-DIHYDRO-1H-INDEN-2-YL)-6-((1S)-1-METHYLPROPYL)-2,5-DIOXO-1-PIPERAZINYL)(2,6-DIMETHYL-3-PYRIDINYL)ACETYL)-
Theoretical properties:
molecular_formula: C30H38N4O4
molecular_weight: 518.6 g/mol
exact_mass: 518.28930571 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 6
heavy_atom_count: 38
topological_polar_surface_area: 91.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Epelsiban is a dipeptide.
wikipedia: Epelsiban (INNTooltip International Nonproprietary Name, USANTooltip United States Adopted Name, code name GSK-557,296-B) is an orally bioavailable and peripherally selective drug which acts as a selective and potent oxytocin receptor antagonist (Ki = 0.13 nM). It was initially developed by GlaxoSmithKline (GSK) for the treatment of premature ejaculation in men and then as an agent to enhance embryo or blastocyst implantation in women undergoing embryo or blastocyst transfer associated with in vitro fertilization (IVF), and was also investigated for use in the treatment of adenomyosis.