2-(2-methylpropylcarbamoylamino)-2-[(3-nitrophenyl)methyl]-4-oxidanyl-pentanedioic acid

Systemtic Name: 2-(2-methylpropylcarbamoylamino)-2-[(3-nitrophenyl)methyl]-4-oxidanyl-pentanedioic acid Openeye Name: 4-hydroxy-2-(isobutylcarbamoylamino)-2-[(3-nitrophenyl)methyl]pentanedioic acid CAS Name: 4-hydroxy-2-[[(2-methylpropylamino)-oxomethyl]amino]-2-[(3-nitrophenyl)methyl]pentanedioic acid IUPAC Name: 4-hydroxy-2-(2-methylpropylcarbamoylamino)-2-[(3-nitrophenyl)methyl]pentanedioic acid Traditional Name: 4-hydroxy-2-(isobutylcarbamoylamino)-2-(3-nitrobenzyl)glutaric acid Formula: C17H23N3O8 MolecularWeight: 397.37982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O8/c1-10(2)9-18-16(26)19-17(15(24)25,8-13(21)14(22)23)7-11-4-3-5-12(6-11)20(27)28/h3-6,10,13,21H,7-9H2,1-2H3,(H,22,23)(H,24,25)(H2,18,19,26)