2-[3-[tert-butylcarbamoyl-(3-methylsulfanylphenyl)amino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[3-[tert-butylcarbamoyl-(3-methylsulfanylphenyl)amino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methylsulfanyl-anilino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetic acid CAS Name: 2-[3-[N-[(tert-butylamino)-oxomethyl]-3-(methylthio)anilino]-2-oxo-5,7-diphenyl-1-azepanyl]acetic acid IUPAC Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methylsulfanylanilino]-2-oxo-5,7-diphenylazepan-1-yl]acetic acid Traditional Name: 2-[3-[N-(tert-butylcarbamoyl)-3-(methylthio)anilino]-2-keto-5,7-diphenyl-azepan-1-yl]acetic acid Formula: C32H37N3O4S MolecularWeight: 559.71888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(C1CC(CC(N(C1=O)CC(=O)O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)SC

Isomeric SMILES

CC(C)(C)NC(=O)N(C1CC(CC(N(C1=O)CC(=O)O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C32H37N3O4S/c1-32(2,3)33-31(39)35(25-16-11-17-26(20-25)40-4)28-19-24(22-12-7-5-8-13-22)18-27(23-14-9-6-10-15-23)34(30(28)38)21-29(36)37/h5-17,20,24,27-28H,18-19,21H2,1-4H3,(H,33,39)(H,36,37)