2-[5-oxidanylidene-6-[(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)amino]-2-thiophen-3-yl-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[5-oxidanylidene-6-[(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)amino]-2-thiophen-3-yl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-benzyloxycarbonyl-3-phenyl-propyl)amino]-5-oxo-2-(3-thienyl)-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[5-oxo-6-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]-2-(3-thiophenyl)-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[5-oxo-6-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]-2-thiophen-3-yl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-carbobenzoxy-3-phenyl-propyl)amino]-5-keto-2-(3-thienyl)-1,4-thiazepan-4-yl]acetic acid Formula: C28H30N2O5S2 MolecularWeight: 538.6782

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O5S2/c31-26(32)16-30-15-25(22-13-14-36-18-22)37-19-24(27(30)33)29-23(12-11-20-7-3-1-4-8-20)28(34)35-17-21-9-5-2-6-10-21/h1-10,13-14,18,23-25,29H,11-12,15-17,19H2,(H,31,32)