2-(2-methylpropylcarbamoylamino)-2-(naphthalen-1-ylmethyl)-4-oxidanyl-pentanedioic acid

Systemtic Name: 2-(2-methylpropylcarbamoylamino)-2-(naphthalen-1-ylmethyl)-4-oxidanyl-pentanedioic acid Openeye Name: 4-hydroxy-2-(isobutylcarbamoylamino)-2-(1-naphthylmethyl)pentanedioic acid CAS Name: 4-hydroxy-2-[[(2-methylpropylamino)-oxomethyl]amino]-2-(1-naphthalenylmethyl)pentanedioic acid IUPAC Name: 4-hydroxy-2-(2-methylpropylcarbamoylamino)-2-(naphthalen-1-ylmethyl)pentanedioic acid Traditional Name: 4-hydroxy-2-(isobutylcarbamoylamino)-2-(1-naphthylmethyl)glutaric acid Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)(CC(C(=O)O)O)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)(CC(C(=O)O)O)C(=O)O

InChI

InChI=1S/C21H26N2O6/c1-13(2)12-22-20(29)23-21(19(27)28,11-17(24)18(25)26)10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,17,24H,10-12H2,1-2H3,(H,25,26)(H,27,28)(H2,22,23,29)