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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CC1=CC2=CC=CC=C2C=C1)(CC(C(=O)O)O)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(CC1=CC2=CC=CC=C2C=C1)(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)10-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13,17,24H,10-12H2,1-2H3,(H,25,26)(H,27,28)(H2,22,23,29)