2-[[4-(4-methylphenyl)-3-nitro-phenyl]methyl]-2-(2-methylpropylcarbamoylamino)-4-oxidanyl-pentanedioic acid

Systemtic Name: 2-[[4-(4-methylphenyl)-3-nitro-phenyl]methyl]-2-(2-methylpropylcarbamoylamino)-4-oxidanyl-pentanedioic acid Openeye Name: 4-hydroxy-2-(isobutylcarbamoylamino)-2-[[3-nitro-4-(p-tolyl)phenyl]methyl]pentanedioic acid CAS Name: 4-hydroxy-2-[[4-(4-methylphenyl)-3-nitrophenyl]methyl]-2-[[(2-methylpropylamino)-oxomethyl]amino]pentanedioic acid IUPAC Name: 4-hydroxy-2-[[4-(4-methylphenyl)-3-nitrophenyl]methyl]-2-(2-methylpropylcarbamoylamino)pentanedioic acid Traditional Name: 4-hydroxy-2-(isobutylcarbamoylamino)-2-[3-nitro-4-(p-tolyl)benzyl]glutaric acid Formula: C24H29N3O8 MolecularWeight: 487.50236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C(C=C2)CC(CC(C(=O)O)O)(C(=O)O)NC(=O)NCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C(C=C2)CC(CC(C(=O)O)O)(C(=O)O)NC(=O)NCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O8/c1-14(2)13-25-23(33)26-24(22(31)32,12-20(28)21(29)30)11-16-6-9-18(19(10-16)27(34)35)17-7-4-15(3)5-8-17/h4-10,14,20,28H,11-13H2,1-3H3,(H,29,30)(H,31,32)(H2,25,26,33)