[(2S,3S)-2-oxidanyl-3-(phenylmethoxycarbonylamino)-4-phenylsulfanyl-butyl] 4-nitrobenzoate

Systemtic Name: [(2S,3S)-2-oxidanyl-3-(phenylmethoxycarbonylamino)-4-phenylsulfanyl-butyl] 4-nitrobenzoate Openeye Name: [(2S,3S)-3-(benzyloxycarbonylamino)-2-hydroxy-4-phenylsulfanyl-butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)-4-(phenylthio)butyl] ester IUPAC Name: [(2S,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)-4-phenylsulfanylbutyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3S)-3-(benzyloxycarbonylamino)-2-hydroxy-4-(phenylthio)butyl] ester Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSC2=CC=CC=C2)C(COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@H](CSC2=CC=CC=C2)[C@@H](COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C25H24N2O7S/c28-23(16-33-24(29)19-11-13-20(14-12-19)27(31)32)22(17-35-21-9-5-2-6-10-21)26-25(30)34-15-18-7-3-1-4-8-18/h1-14,22-23,28H,15-17H2,(H,26,30)/t22-,23-/m1/s1