4-methylsulfanyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[3-(4-nitro-1-imidazolyl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butyric acid Formula: C11H16N4O5S MolecularWeight: 316.33354

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCN1C=C(N=C1)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCN1C=C(N=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O5S/c1-21-5-3-8(11(17)18)13-10(16)2-4-14-6-9(12-7-14)15(19)20/h6-8H,2-5H2,1H3,(H,13,16)(H,17,18)