2-(2-methylpropylcarbamoylamino)-4-oxidanyl-2-phenethyl-pentanedioic acid

Systemtic Name: 2-(2-methylpropylcarbamoylamino)-4-oxidanyl-2-phenethyl-pentanedioic acid Openeye Name: 4-hydroxy-2-(isobutylcarbamoylamino)-2-phenethyl-pentanedioic acid CAS Name: 4-hydroxy-2-[[(2-methylpropylamino)-oxomethyl]amino]-2-phenethylpentanedioic acid IUPAC Name: 4-hydroxy-2-(2-methylpropylcarbamoylamino)-2-phenethylpentanedioic acid Traditional Name: 4-hydroxy-2-(isobutylcarbamoylamino)-2-phenethyl-glutaric acid Formula: C18H26N2O6 MolecularWeight: 366.40884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CCC1=CC=CC=C1)(CC(C(=O)O)O)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(CCC1=CC=CC=C1)(CC(C(=O)O)O)C(=O)O

InChI

InChI=1S/C18H26N2O6/c1-12(2)11-19-17(26)20-18(16(24)25,10-14(21)15(22)23)9-8-13-6-4-3-5-7-13/h3-7,12,14,21H,8-11H2,1-2H3,(H,22,23)(H,24,25)(H2,19,20,26)