2-[6-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-5-keto-3-phenyl-1,4-thiazepan-4-yl]acetic acid Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C27H34N2O5S/c1-2-3-16-34-27(33)22(15-14-20-10-6-4-7-11-20)28-23-18-35-19-24(21-12-8-5-9-13-21)29(26(23)32)17-25(30)31/h4-13,22-24,28H,2-3,14-19H2,1H3,(H,30,31)