4-methylsulfanyl-2-[2-(4-nitrophenyl)ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-(4-nitrophenyl)ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(4-nitrophenyl)acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(4-nitrophenyl)acetyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-(4-nitrophenyl)acetyl]amino]butyric acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c1-21-7-6-11(13(17)18)14-12(16)8-9-2-4-10(5-3-9)15(19)20/h2-5,11H,6-8H2,1H3,(H,14,16)(H,17,18)