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

Systemtic Name: 3-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]pentanoic acid Openeye Name: 3-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]pentanoic acid CAS Name: 3-methyl-2-[[3-(4-nitro-1-imidazolyl)-1-oxopropyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]pentanoic acid Traditional Name: 3-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]valeric acid Formula: C12H18N4O5 MolecularWeight: 298.29512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O5/c1-3-8(2)11(12(18)19)14-10(17)4-5-15-6-9(13-7-15)16(20)21/h6-8,11H,3-5H2,1-2H3,(H,14,17)(H,18,19)