(2R)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoic acid

Systemtic Name: (2R)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoic acid Openeye Name: (2R)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoic acid CAS Name: (2R)-4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: (2R)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoic acid Traditional Name: (2R)-4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5S/c1-20-6-5-10(12(16)17)13-11(15)8-3-2-4-9(7-8)14(18)19/h2-4,7,10H,5-6H2,1H3,(H,13,15)(H,16,17)/t10-/m1/s1