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

Systemtic Name: (2R)-4-methylsulfanyl-2-[(4-nitrophenyl)carbonylamino]butanoic acid Openeye Name: (2R)-4-methylsulfanyl-2-[(4-nitrobenzoyl)amino]butanoic acid CAS Name: (2R)-4-(methylthio)-2-[[(4-nitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: (2R)-4-methylsulfanyl-2-[(4-nitrobenzoyl)amino]butanoic acid Traditional Name: (2R)-4-(methylthio)-2-[(4-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=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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