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

Systemtic Name: 2-[5-oxidanylidene-6-[(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)amino]-2-phenyl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-benzyloxycarbonyl-3-phenyl-propyl)amino]-5-oxo-2-phenyl-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[5-oxo-6-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]-2-phenyl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[5-oxo-6-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]-2-phenyl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-carbobenzoxy-3-phenyl-propyl)amino]-5-keto-2-phenyl-1,4-thiazepan-4-yl]acetic acid Formula: C30H32N2O5S MolecularWeight: 532.65048

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O5S/c33-28(34)19-32-18-27(24-14-8-3-9-15-24)38-21-26(29(32)35)31-25(17-16-22-10-4-1-5-11-22)30(36)37-20-23-12-6-2-7-13-23/h1-15,25-27,31H,16-21H2,(H,33,34)