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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-3-nitro-phenyl]methyl]-2-(2-methylpropylcarbamoylamino)-4-oxidanyl-pentanedioic acid Openeye Name: 4-hydroxy-2-(isobutylcarbamoylamino)-2-[[4-(4-methoxyphenyl)-3-nitro-phenyl]methyl]pentanedioic acid CAS Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)-3-nitrophenyl]methyl]-2-[[(2-methylpropylamino)-oxomethyl]amino]pentanedioic acid IUPAC Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)-3-nitrophenyl]methyl]-2-(2-methylpropylcarbamoylamino)pentanedioic acid Traditional Name: 4-hydroxy-2-(isobutylcarbamoylamino)-2-[4-(4-methoxyphenyl)-3-nitro-benzyl]glutaric acid Formula: C24H29N3O9 MolecularWeight: 503.50176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O9/c1-14(2)13-25-23(33)26-24(22(31)32,12-20(28)21(29)30)11-15-4-9-18(19(10-15)27(34)35)16-5-7-17(36-3)8-6-16/h4-10,14,20,28H,11-13H2,1-3H3,(H,29,30)(H,31,32)(H2,25,26,33)