2-[2,2-dimethyl-7-oxidanylidene-6-(2-oxidanylidene-4-phenyl-3-sulfanyl-butyl)azepan-1-yl]ethanoic acid

Systemtic Name: 2-[2,2-dimethyl-7-oxidanylidene-6-(2-oxidanylidene-4-phenyl-3-sulfanyl-butyl)azepan-1-yl]ethanoic acid Openeye Name: 2-[2,2-dimethyl-7-oxo-6-(2-oxo-4-phenyl-3-sulfanyl-butyl)azepan-1-yl]acetic acid CAS Name: 2-[6-(3-mercapto-2-oxo-4-phenylbutyl)-2,2-dimethyl-7-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[2,2-dimethyl-7-oxo-6-(2-oxo-4-phenyl-3-sulfanylbutyl)azepan-1-yl]acetic acid Traditional Name: 2-[7-keto-6-(2-keto-3-mercapto-4-phenyl-butyl)-2,2-dimethyl-azepan-1-yl]acetic acid Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO4S/c1-20(2)10-6-9-15(19(25)21(20)13-18(23)24)12-16(22)17(26)11-14-7-4-3-5-8-14/h3-5,7-8,15,17,26H,6,9-13H2,1-2H3,(H,23,24)