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

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-2-(2-naphthyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-(2-naphthalenyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-naphthalen-2-yl-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]-5-keto-2-(2-naphthyl)-1,4-thiazepan-4-yl]acetic acid Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2(CN(C(=O)CCS2)CC(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2(CN(C(=O)CCS2)CC(=O)O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H32N2O5S/c1-2-36-28(35)25(15-12-21-8-4-3-5-9-21)30-29(20-31(19-27(33)34)26(32)16-17-37-29)24-14-13-22-10-6-7-11-23(22)18-24/h3-11,13-14,18,25,30H,2,12,15-17,19-20H2,1H3,(H,33,34)