(2S)-4-methyl-2-[(2-nitrophenyl)methylsulfonylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[(2-nitrophenyl)methylsulfonylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[(2-nitrophenyl)methylsulfonylamino]pentanoic acid CAS Name: (2S)-4-methyl-2-[(2-nitrophenyl)methylsulfonylamino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[(2-nitrophenyl)methylsulfonylamino]pentanoic acid Traditional Name: (2S)-4-methyl-2-[(2-nitrobenzyl)sulfonylamino]valeric acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O6S/c1-9(2)7-11(13(16)17)14-22(20,21)8-10-5-3-4-6-12(10)15(18)19/h3-6,9,11,14H,7-8H2,1-2H3,(H,16,17)/t11-/m0/s1