2-(1H-imidazol-2-ylmethyl)-2-(2-methylpropylcarbamoylamino)-4-oxidanyl-pentanedioic acid

Systemtic Name: 2-(1H-imidazol-2-ylmethyl)-2-(2-methylpropylcarbamoylamino)-4-oxidanyl-pentanedioic acid Openeye Name: 4-hydroxy-2-(1H-imidazol-2-ylmethyl)-2-(isobutylcarbamoylamino)pentanedioic acid CAS Name: 4-hydroxy-2-(1H-imidazol-2-ylmethyl)-2-[[(2-methylpropylamino)-oxomethyl]amino]pentanedioic acid IUPAC Name: 4-hydroxy-2-(1H-imidazol-2-ylmethyl)-2-(2-methylpropylcarbamoylamino)pentanedioic acid Traditional Name: 4-hydroxy-2-(1H-imidazol-2-ylmethyl)-2-(isobutylcarbamoylamino)glutaric acid Formula: C14H22N4O6 MolecularWeight: 342.34768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CC1=NC=CN1)(CC(C(=O)O)O)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(CC1=NC=CN1)(CC(C(=O)O)O)C(=O)O

InChI

InChI=1S/C14H22N4O6/c1-8(2)7-17-13(24)18-14(12(22)23,5-9(19)11(20)21)6-10-15-3-4-16-10/h3-4,8-9,19H,5-7H2,1-2H3,(H,15,16)(H,20,21)(H,22,23)(H2,17,18,24)