(2S,3S)-3-methyl-2-[methyl-(4-nitrophenyl)sulfonyl-amino]pentanoic acid

Systemtic Name: (2S,3S)-3-methyl-2-[methyl-(4-nitrophenyl)sulfonyl-amino]pentanoic acid Openeye Name: (2S,3S)-3-methyl-2-[methyl-(4-nitrophenyl)sulfonyl-amino]pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[methyl-(4-nitrophenyl)sulfonylamino]pentanoic acid IUPAC Name: (2S,3S)-3-methyl-2-[methyl-(4-nitrophenyl)sulfonylamino]pentanoic acid Traditional Name: (2S,3S)-3-methyl-2-[methyl(nosyl)amino]valeric acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N(C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O6S/c1-4-9(2)12(13(16)17)14(3)22(20,21)11-7-5-10(6-8-11)15(18)19/h5-9,12H,4H2,1-3H3,(H,16,17)/t9-,12-/m0/s1