2-[2,2-dimethyl-7-oxidanylidene-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]azepin-1-yl]ethanoic acid

Systemtic Name: 2-[2,2-dimethyl-7-oxidanylidene-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]azepin-1-yl]ethanoic acid Openeye Name: 2-[2,2-dimethyl-7-oxo-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]azepin-1-yl]acetic acid CAS Name: 2-[3-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-2,2-dimethyl-7-oxo-1-azepinyl]acetic acid IUPAC Name: 2-[2,2-dimethyl-7-oxo-3-[(3-phenyl-2-sulfanylpropanoyl)amino]azepin-1-yl]acetic acid Traditional Name: 2-[7-keto-3-[(2-mercapto-3-phenyl-propanoyl)amino]-2,2-dimethyl-azepin-1-yl]acetic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC=CC(=O)N1CC(=O)O)NC(=O)C(CC2=CC=CC=C2)S)C

Isomeric SMILES

CC1(C(=CC=CC(=O)N1CC(=O)O)NC(=O)C(CC2=CC=CC=C2)S)C

InChI

InChI=1S/C19H22N2O4S/c1-19(2)15(9-6-10-16(22)21(19)12-17(23)24)20-18(25)14(26)11-13-7-4-3-5-8-13/h3-10,14,26H,11-12H2,1-2H3,(H,20,25)(H,23,24)