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

Systemtic Name: 2-[6-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-2-(2-naphthyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-(2-naphthalenyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-naphthalen-2-yl-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-5-keto-2-(2-naphthyl)-1,4-thiazepan-4-yl]acetic acid Formula: C31H36N2O5S MolecularWeight: 548.69294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C31H36N2O5S/c1-2-3-17-38-31(37)26(16-13-22-9-5-4-6-10-22)32-27-21-39-28(19-33(30(27)36)20-29(34)35)25-15-14-23-11-7-8-12-24(23)18-25/h4-12,14-15,18,26-28,32H,2-3,13,16-17,19-21H2,1H3,(H,34,35)