4-methyl-2-[[(6E,12E)-9-oxidanyl-10-oxidanylidene-octadeca-6,12-dienoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[(6E,12E)-9-oxidanyl-10-oxidanylidene-octadeca-6,12-dienoyl]amino]pentanoic acid Openeye Name: 2-[[(6E,12E)-9-hydroxy-10-oxo-octadeca-6,12-dienoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[(6E,12E)-9-hydroxy-1,10-dioxooctadeca-6,12-dienyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[(6E,12E)-9-hydroxy-10-oxooctadeca-6,12-dienoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[(6E,12E)-9-hydroxy-10-keto-octadeca-6,12-dienoyl]amino]-4-methyl-valeric acid Formula: C24H41NO5 MolecularWeight: 423.58604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(=O)C(CC=CCCCCC(=O)NC(CC(C)C)C(=O)O)O

Isomeric SMILES

CCCCC/C=C/CC(=O)C(C/C=C/CCCCC(=O)NC(CC(C)C)C(=O)O)O

InChI

InChI=1S/C24H41NO5/c1-4-5-6-7-9-12-15-21(26)22(27)16-13-10-8-11-14-17-23(28)25-20(24(29)30)18-19(2)3/h9-10,12-13,19-20,22,27H,4-8,11,14-18H2,1-3H3,(H,25,28)(H,29,30)/b12-9+,13-10+