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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O5/c1-3-5-12(2,11(18)19)14-10(17)4-6-15-7-9(13-8-15)16(20)21/h7-8H,3-6H2,1-2H3,(H,14,17)(H,18,19)