[(2R,3R)-2-oxidanyl-3-(phenylmethoxycarbonylamino)-4-phenylsulfanyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R)-2-oxidanyl-3-(phenylmethoxycarbonylamino)-4-phenylsulfanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3R)-3-(benzyloxycarbonylamino)-2-hydroxy-4-phenylsulfanyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-2-hydroxy-3-(phenylmethoxycarbonylamino)-4-(phenylthio)butyl] ester IUPAC Name: [(2R,3R)-2-hydroxy-3-(phenylmethoxycarbonylamino)-4-phenylsulfanylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R)-3-(benzyloxycarbonylamino)-2-hydroxy-4-(phenylthio)butyl] ester Formula: C25H27NO6S2 MolecularWeight: 501.61498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(CSC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]([C@H](CSC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C25H27NO6S2/c1-19-12-14-22(15-13-19)34(29,30)32-17-24(27)23(18-33-21-10-6-3-7-11-21)26-25(28)31-16-20-8-4-2-5-9-20/h2-15,23-24,27H,16-18H2,1H3,(H,26,28)/t23-,24-/m0/s1