5-ethoxy-2-[(4-methylphenyl)methyl]-2-(2-methylpropylcarbamoylamino)-4-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-ethoxy-2-[(4-methylphenyl)methyl]-2-(2-methylpropylcarbamoylamino)-4-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-ethoxy-4-hydroxy-2-(isobutylcarbamoylamino)-5-oxo-2-(p-tolylmethyl)pentanoic acid CAS Name: 5-ethoxy-4-hydroxy-2-[(4-methylphenyl)methyl]-2-[[(2-methylpropylamino)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-ethoxy-4-hydroxy-2-[(4-methylphenyl)methyl]-2-(2-methylpropylcarbamoylamino)-5-oxopentanoic acid Traditional Name: 5-ethoxy-4-hydroxy-2-(isobutylcarbamoylamino)-5-keto-2-(4-methylbenzyl)valeric acid Formula: C20H30N2O6 MolecularWeight: 394.462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CC1=CC=C(C=C1)C)(C(=O)O)NC(=O)NCC(C)C)O

Isomeric SMILES

CCOC(=O)C(CC(CC1=CC=C(C=C1)C)(C(=O)O)NC(=O)NCC(C)C)O

InChI

InChI=1S/C20H30N2O6/c1-5-28-17(24)16(23)11-20(18(25)26,22-19(27)21-12-13(2)3)10-15-8-6-14(4)7-9-15/h6-9,13,16,23H,5,10-12H2,1-4H3,(H,25,26)(H2,21,22,27)