2-[6-[[1-(1-ethoxycarbonyloxyethoxy)-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-2-naphthalen-1-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-1-yl-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[[1-(1-ethoxycarbonyloxyethoxycarbonyl)-3-phenyl-propyl]amino]-2-(1-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-(1-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-1-yl-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[[1-(1-carbethoxyoxyethoxycarbonyl)-3-phenyl-propyl]amino]-5-keto-2-(1-naphthyl)-1,4-thiazepan-4-yl]acetic acid Formula: C32H36N2O8S MolecularWeight: 608.70184

Click to see the large picture

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=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)OC(C)OC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CC4=CC=CC=C43

InChI

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