(3S,6S,7E,9E,10aR)-N-(diphenylmethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxidanylidene-2,3,6,10a-tetrahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide

Systemtic Name: (3S,6S,7E,9E,10aR)-N-(diphenylmethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxidanylidene-2,3,6,10a-tetrahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide Openeye Name: (3S,6S,7E,9E,10aR)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-2,3,6,10a-tetrahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide CAS Name: (3S,6S,7E,9E,10aR)-N-(diphenylmethyl)-6-[[(2S)-2-(methylamino)-1-oxobutyl]amino]-5-oxo-2,3,6,10a-tetrahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide IUPAC Name: (3S,6S,7E,9E,10aR)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-2,3,6,10a-tetrahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide Traditional Name: (3S,6S,7E,9E,10aR)-N-benzhydryl-5-keto-6-[[(2S)-2-(methylamino)butanoyl]amino]-2,3,6,10a-tetrahydro-1H-pyrrol[1,2-a]azocine-3-carboxamide Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1C=CC=CC2CCC(N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)NC

Isomeric SMILES

CC[C@@H](C(=O)N[C@H]1/C=C/C=C/[C@H]2CC[C@H](N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)NC

InChI

InChI=1S/C29H34N4O3/c1-3-23(30-2)27(34)31-24-17-11-10-16-22-18-19-25(33(22)29(24)36)28(35)32-26(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-17,22-26,30H,3,18-19H2,1-2H3,(H,31,34)(H,32,35)/b16-10+,17-11+/t22-,23-,24-,25-/m0/s1