2-[6-[[1-(2-methylpropoxy)-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-(2-methylpropoxy)-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-isobutoxycarbonyl-3-phenyl-propyl)amino]-2-(2-naphthyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[[1-(2-methylpropoxy)-1-oxo-4-phenylbutan-2-yl]amino]-2-(2-naphthalenyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[[1-(2-methylpropoxy)-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-isobutoxycarbonyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N2O5S/c1-21(2)19-38-31(37)26(15-12-22-8-4-3-5-9-22)32-27-20-39-28(17-33(30(27)36)18-29(34)35)25-14-13-23-10-6-7-11-24(23)16-25/h3-11,13-14,16,21,26-28,32H,12,15,17-20H2,1-2H3,(H,34,35)