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

Systemtic Name: 2-[3-[(3-methyl-2-sulfanyl-butanoyl)amino]-2-oxidanylidene-8-phenyl-5H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[(3-methyl-2-sulfanyl-butanoyl)amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[(2-mercapto-3-methyl-1-oxobutyl)amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[(3-methyl-2-sulfanylbutanoyl)amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-[(2-mercapto-3-methyl-butanoyl)amino]-8-phenyl-5H-1-benzazepin-1-yl]acetic acid Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CCC2=C(C=C(C=C2)C3=CC=CC=C3)N(C1=O)CC(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC1=CCC2=C(C=C(C=C2)C3=CC=CC=C3)N(C1=O)CC(=O)O)S

InChI

InChI=1S/C23H24N2O4S/c1-14(2)21(30)22(28)24-18-11-10-16-8-9-17(15-6-4-3-5-7-15)12-19(16)25(23(18)29)13-20(26)27/h3-9,11-12,14,21,30H,10,13H2,1-2H3,(H,24,28)(H,26,27)