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

Systemtic Name: 2-[2-naphthalen-2-yl-5-oxidanylidene-6-[(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)amino]-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-benzyloxycarbonyl-3-phenyl-propyl)amino]-2-(2-naphthyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[2-(2-naphthalenyl)-5-oxo-6-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[2-naphthalen-2-yl-5-oxo-6-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-carbobenzoxy-3-phenyl-propyl)amino]-5-keto-2-(2-naphthyl)-1,4-thiazepan-4-yl]acetic acid Formula: C34H34N2O5S MolecularWeight: 582.70916

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SCC(C(=O)N1CC(=O)O)NC(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1C(SCC(C(=O)N1CC(=O)O)NC(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C34H34N2O5S/c37-32(38)21-36-20-31(28-17-16-26-13-7-8-14-27(26)19-28)42-23-30(33(36)39)35-29(18-15-24-9-3-1-4-10-24)34(40)41-22-25-11-5-2-6-12-25/h1-14,16-17,19,29-31,35H,15,18,20-23H2,(H,37,38)