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

Systemtic Name: (2S)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[(2-nitrophenyl)thio]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid Traditional Name: (2S)-4-methyl-2-[[(2-nitrophenyl)thio]amino]valeric acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O4S/c1-8(2)7-9(12(15)16)13-19-11-6-4-3-5-10(11)14(17)18/h3-6,8-9,13H,7H2,1-2H3,(H,15,16)/t9-/m0/s1