4-methyl-2-[3-oxidanylidene-4-[[3-phenyl-2-(phenylcarbonylsulfanyl)propanoyl]amino]-4,5-dihydro-1H-2-benzazepin-2-yl]pentanoic acid

Systemtic Name: 4-methyl-2-[3-oxidanylidene-4-[[3-phenyl-2-(phenylcarbonylsulfanyl)propanoyl]amino]-4,5-dihydro-1H-2-benzazepin-2-yl]pentanoic acid Openeye Name: 2-[4-[(2-benzoylsulfanyl-3-phenyl-propanoyl)amino]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]-4-methyl-pentanoic acid CAS Name: 2-[4-[[2-(benzoylthio)-1-oxo-3-phenylpropyl]amino]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]-4-methylpentanoic acid IUPAC Name: 2-[4-[(2-benzoylsulfanyl-3-phenylpropanoyl)amino]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]-4-methylpentanoic acid Traditional Name: 2-[4-[[2-(benzoylthio)-3-phenyl-propanoyl]amino]-3-keto-4,5-dihydro-1H-2-benzazepin-2-yl]-4-methyl-valeric acid Formula: C32H34N2O5S MolecularWeight: 558.68776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1CC2=CC=CC=C2CC(C1=O)NC(=O)C(CC3=CC=CC=C3)SC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)O)N1CC2=CC=CC=C2CC(C1=O)NC(=O)C(CC3=CC=CC=C3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C32H34N2O5S/c1-21(2)17-27(31(37)38)34-20-25-16-10-9-15-24(25)19-26(30(34)36)33-29(35)28(18-22-11-5-3-6-12-22)40-32(39)23-13-7-4-8-14-23/h3-16,21,26-28H,17-20H2,1-2H3,(H,33,35)(H,37,38)