Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8WOH1
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| Ligand Name |
(3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide
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| Synonyms |
Smac005; Smac-005; BMC175834 Compound 3a; CHEMBL573550; SCHEMBL13124179; BDBM26203; Q27467413; (3S,6S,7S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide; (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide
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| Structure |
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Download2D MOL |
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| Formula |
C28H36N4O4
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| Canonical SMILES |
CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)CO)N
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| InChI |
1S/C28H36N4O4/c1-2-22(29)26(34)31-25-20(17-33)13-14-21-15-16-23(32(21)28(25)36)27(35)30-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25,33H,2,13-17,29H2,1H3,(H,30,35)(H,31,34)/t20-,21+,22+,23+,25+/m1/s1
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| InChIKey |
WXYVFFGXHFXTLU-FCRIMTMASA-N
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| PubChem Compound ID | ||||
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