2-[2-(furan-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-(furan-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-furyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[2-(2-furanyl)-5-oxo-6-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[2-(furan-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]-2-(2-furyl)-5-keto-1,4-thiazepan-4-yl]acetic acid Formula: C28H30N2O6S MolecularWeight: 522.6126

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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=CC=CO4

Isomeric SMILES

C1C(SCC(C(=O)N1CC(=O)O)NC(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C28H30N2O6S/c31-26(32)17-30-16-25(24-12-7-15-35-24)37-19-23(27(30)33)29-22(14-13-20-8-3-1-4-9-20)28(34)36-18-21-10-5-2-6-11-21/h1-12,15,22-23,25,29H,13-14,16-19H2,(H,31,32)