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

Systemtic Name: (phenylmethyl) (2S,3S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-(phenylmethoxycarbonylamino)pentanoate Openeye Name: benzyl (2S,3S)-3-(benzyloxycarbonylamino)-2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-pentanoate CAS Name: (2S,3S)-2-[(4-methoxyphenyl)methylthio]-4-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S,3S)-3-(benzyloxycarbonylamino)-4-methyl-2-(p-anisylthio)valeric acid benzyl ester Formula: C29H33NO5S MolecularWeight: 507.64102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(=O)OCC1=CC=CC=C1)SCC2=CC=C(C=C2)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H]([C@@H](C(=O)OCC1=CC=CC=C1)SCC2=CC=C(C=C2)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H33NO5S/c1-21(2)26(30-29(32)35-19-23-12-8-5-9-13-23)27(28(31)34-18-22-10-6-4-7-11-22)36-20-24-14-16-25(33-3)17-15-24/h4-17,21,26-27H,18-20H2,1-3H3,(H,30,32)/t26-,27-/m0/s1