(2R)-2-[methyl-(4-nitrophenyl)sulfonyl-amino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: (2R)-2-[methyl-(4-nitrophenyl)sulfonyl-amino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: (2R)-3-benzylsulfanyl-2-[methyl-(4-nitrophenyl)sulfonyl-amino]propanoic acid CAS Name: (2R)-2-[methyl-(4-nitrophenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid IUPAC Name: (2R)-3-benzylsulfanyl-2-[methyl-(4-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: (2R)-3-(benzylthio)-2-[methyl(nosyl)amino]propionic acid Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CSCC1=CC=CC=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN([C@@H](CSCC1=CC=CC=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S2/c1-18(27(24,25)15-9-7-14(8-10-15)19(22)23)16(17(20)21)12-26-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,20,21)/t16-/m0/s1