(2R,3R)-2-[(4-methoxyphenyl)methylsulfanyl]-6-oxidanylidene-6-phenylmethoxy-3-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: (2R,3R)-2-[(4-methoxyphenyl)methylsulfanyl]-6-oxidanylidene-6-phenylmethoxy-3-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (2R,3R)-6-benzyloxy-3-(benzyloxycarbonylamino)-2-[(4-methoxyphenyl)methylsulfanyl]-6-oxo-hexanoic acid CAS Name: (2R,3R)-2-[(4-methoxyphenyl)methylthio]-6-oxo-6-phenylmethoxy-3-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: (2R,3R)-2-[(4-methoxyphenyl)methylsulfanyl]-6-oxo-6-phenylmethoxy-3-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (2R,3R)-6-benzoxy-3-(benzyloxycarbonylamino)-6-keto-2-(p-anisylthio)hexanoic acid Formula: C29H31NO7S MolecularWeight: 537.62394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(C(CCC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CS[C@H]([C@@H](CCC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C29H31NO7S/c1-35-24-14-12-23(13-15-24)20-38-27(28(32)33)25(30-29(34)37-19-22-10-6-3-7-11-22)16-17-26(31)36-18-21-8-4-2-5-9-21/h2-15,25,27H,16-20H2,1H3,(H,30,34)(H,32,33)/t25-,27-/m1/s1