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

Systemtic Name: 3-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butanoic acid Openeye Name: 3-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butanoic acid CAS Name: 3-methyl-2-[[3-(4-nitro-1-imidazolyl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butanoic acid Traditional Name: 3-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butyric acid Formula: C11H16N4O5 MolecularWeight: 284.26854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O5/c1-7(2)10(11(17)18)13-9(16)3-4-14-5-8(12-6-14)15(19)20/h5-7,10H,3-4H2,1-2H3,(H,13,16)(H,17,18)