4-methyl-2-[[1-[3-[(3-nitrophenyl)methyl]imidazol-4-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[1-[3-[(3-nitrophenyl)methyl]imidazol-4-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]pentanoic acid Openeye Name: 2-[[2-hydroxy-1-[3-[(3-nitrophenyl)methyl]imidazol-4-yl]-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-hydroxy-1-[3-[(3-nitrophenyl)methyl]-4-imidazolyl]-2-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-hydroxy-1-[3-[(3-nitrophenyl)methyl]imidazol-4-yl]-2-oxoethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-hydroxy-2-keto-1-[3-(3-nitrobenzyl)imidazol-4-yl]ethyl]amino]-4-methyl-valeric acid Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(C1=CN=CN1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(C1=CN=CN1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H22N4O6/c1-11(2)6-14(17(23)24)20-16(18(25)26)15-8-19-10-21(15)9-12-4-3-5-13(7-12)22(27)28/h3-5,7-8,10-11,14,16,20H,6,9H2,1-2H3,(H,23,24)(H,25,26)