Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LH26EO
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| Ligand Name |
(3s,6s,7r,9as)-6-{[(2s)-2-Aminobutanoyl]amino}-7-(2-Aminoethyl)-N-(Diphenylmethyl)-5-Oxooctahydro-1h-Pyrrolo[1,2-A]azepine-3-Carboxamide
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| Synonyms |
(3s,6s,7r,9as)-6-{[(2s)-2-Aminobutanoyl]amino}-7-(2-Aminoethyl)-N-(Diphenylmethyl)-5-Oxooctahydro-1h-Pyrrolo[1,2-A]azepine-3-Carboxamide; Smac037; Smac-037; BMC175834 Compound 32a; CHEMBL574027; SCHEMBL13124184; BDBM26205; Q27465417; (3S,6S,7R,9aS)-6-[(2S)-2-aminobutanamido]-7-(2-aminoethyl)-N-(diphenylmethyl)-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide
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| Structure |
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Download2D MOL |
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| Formula |
C29H39N5O3
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| Canonical SMILES |
CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)CCN)N
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| InChI |
1S/C29H39N5O3/c1-2-23(31)27(35)33-26-21(17-18-30)13-14-22-15-16-24(34(22)29(26)37)28(36)32-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-26H,2,13-18,30-31H2,1H3,(H,32,36)(H,33,35)/t21-,22+,23+,24+,26+/m1/s1
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| InChIKey |
KQHWCFZCUNTTCW-VEGWMBEDSA-N
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| PubChem Compound ID | ||||
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