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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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