N-[(1S)-2-[(3aS,8aR)-8-oxidanylidene-7-phenethyl-4,5,6,8a-tetrahydro-3aH-pyrrolo[2,3-c]azepin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-(methylamino)butanamide

Systemtic Name: N-[(1S)-2-[(3aS,8aR)-8-oxidanylidene-7-phenethyl-4,5,6,8a-tetrahydro-3aH-pyrrolo[2,3-c]azepin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-(methylamino)butanamide Openeye Name: N-[(1S)-2-[(3aS,8aR)-8-oxo-7-phenethyl-4,5,6,8a-tetrahydro-3aH-pyrrolo[2,3-c]azepin-1-yl]-1-cyclohexyl-2-oxo-ethyl]-2-(methylamino)butanamide CAS Name: N-[(1S)-2-[(3aS,8aR)-8-oxo-7-phenethyl-4,5,6,8a-tetrahydro-3aH-pyrrolo[2,3-c]azepin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)butanamide IUPAC Name: N-[(1S)-2-[(3aS,8aR)-8-oxo-7-phenethyl-4,5,6,8a-tetrahydro-3aH-pyrrolo[2,3-c]azepin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)butanamide Traditional Name: N-[(1S)-2-[(3aS,8aR)-8-keto-7-phenethyl-4,5,6,8a-tetrahydro-3aH-pyrrol[2,3-c]azepin-1-yl]-1-cyclohexyl-2-keto-ethyl]-2-(methylamino)butyramide Formula: C29H42N4O3 MolecularWeight: 494.66878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(C1CCCCC1)C(=O)N2C=CC3C2C(=O)N(CCC3)CCC4=CC=CC=C4)NC

Isomeric SMILES

CCC(C(=O)N[C@@H](C1CCCCC1)C(=O)N2C=C[C@H]3[C@@H]2C(=O)N(CCC3)CCC4=CC=CC=C4)NC

InChI

InChI=1S/C29H42N4O3/c1-3-24(30-2)27(34)31-25(22-13-8-5-9-14-22)28(35)33-20-17-23-15-10-18-32(29(36)26(23)33)19-16-21-11-6-4-7-12-21/h4,6-7,11-12,17,20,22-26,30H,3,5,8-10,13-16,18-19H2,1-2H3,(H,31,34)/t23-,24?,25-,26+/m0/s1