(phenylmethyl) (2R,3S)-3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (phenylmethyl) (2R,3S)-3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: benzyl (2R,3S)-2-(benzyloxycarbonylamino)-3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-butanoate CAS Name: (2R,3S)-3-[(4-methoxyphenyl)methylthio]-2-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,3S)-3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2R,3S)-2-(benzyloxycarbonylamino)-2-methyl-3-(p-anisylthio)butyric acid benzyl ester Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)SCC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H]([C@@](C)(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C28H31NO5S/c1-21(35-20-24-14-16-25(32-3)17-15-24)28(2,26(30)33-18-22-10-6-4-7-11-22)29-27(31)34-19-23-12-8-5-9-13-23/h4-17,21H,18-20H2,1-3H3,(H,29,31)/t21-,28-/m0/s1