2-[1-oxidanylidene-5-phenyl-3-(phenylmethoxycarbonylamino)-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[1-oxidanylidene-5-phenyl-3-(phenylmethoxycarbonylamino)-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)-1-oxo-5-phenyl-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[1-oxo-5-phenyl-3-(phenylmethoxycarbonylamino)-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[1-oxo-5-phenyl-3-(phenylmethoxycarbonylamino)-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)-1-keto-5-phenyl-1,4-thiazepan-4-yl]acetic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)CC(N(C1C2=CC=CC=C2)CC(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CS(=O)CC(N(C1C2=CC=CC=C2)CC(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c24-20(25)13-23-18(17-9-5-2-6-10-17)11-12-29(27)15-19(23)22-21(26)28-14-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,22,26)(H,24,25)