2-[2-oxidanylidene-8-phenyl-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]-5H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-8-phenyl-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]-5H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[2-oxo-8-phenyl-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]-5H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[2-oxo-8-phenyl-3-[(3-phenyl-2-sulfanylpropanoyl)amino]-5H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-[(2-mercapto-3-phenyl-propanoyl)amino]-8-phenyl-5H-1-benzazepin-1-yl]acetic acid Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=O)N(C2=C1C=CC(=C2)C3=CC=CC=C3)CC(=O)O)NC(=O)C(CC4=CC=CC=C4)S

Isomeric SMILES

C1C=C(C(=O)N(C2=C1C=CC(=C2)C3=CC=CC=C3)CC(=O)O)NC(=O)C(CC4=CC=CC=C4)S

InChI

InChI=1S/C27H24N2O4S/c30-25(31)17-29-23-16-21(19-9-5-2-6-10-19)12-11-20(23)13-14-22(27(29)33)28-26(32)24(34)15-18-7-3-1-4-8-18/h1-12,14,16,24,34H,13,15,17H2,(H,28,32)(H,30,31)