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

Systemtic Name: 2-[5-oxidanylidene-2-[(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)amino]-2-thiophen-2-yl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[2-[(1-benzyloxycarbonyl-3-phenyl-propyl)amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[5-oxo-2-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[5-oxo-2-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[2-[(1-carbobenzoxy-3-phenyl-propyl)amino]-5-keto-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid Formula: C28H30N2O5S2 MolecularWeight: 538.6782

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(CN(C1=O)CC(=O)O)(C2=CC=CS2)NC(CCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CSC(CN(C1=O)CC(=O)O)(C2=CC=CS2)NC(CCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O5S2/c31-25-15-17-37-28(24-12-7-16-36-24,20-30(25)18-26(32)33)29-23(14-13-21-8-3-1-4-9-21)27(34)35-19-22-10-5-2-6-11-22/h1-12,16,23,29H,13-15,17-20H2,(H,32,33)