2-[6-[[1-(1-ethoxycarbonyloxyethoxy)-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-(1-ethoxycarbonyloxyethoxy)-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-(1-ethoxycarbonyloxyethoxycarbonyl)-3-phenyl-propyl]amino]-2-(2-naphthyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[[1-(1-ethoxycarbonyloxyethoxy)-1-oxo-4-phenylbutan-2-yl]amino]-2-(2-naphthalenyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[[1-(1-ethoxycarbonyloxyethoxy)-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-(1-carbethoxyoxyethoxycarbonyl)-3-phenyl-propyl]amino]-5-keto-2-(2-naphthyl)-1,4-thiazepan-4-yl]acetic acid Formula: C32H36N2O8S MolecularWeight: 608.70184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H36N2O8S/c1-3-40-32(39)42-21(2)41-31(38)26(16-13-22-9-5-4-6-10-22)33-27-20-43-28(18-34(30(27)37)19-29(35)36)25-15-14-23-11-7-8-12-24(23)17-25/h4-12,14-15,17,21,26-28,33H,3,13,16,18-20H2,1-2H3,(H,35,36)