3-methyl-2-[[(6E,12E,15E)-9-oxidanyl-10-oxidanylidene-octadeca-6,12,15-trienoyl]amino]pentanoic acid

Systemtic Name: 3-methyl-2-[[(6E,12E,15E)-9-oxidanyl-10-oxidanylidene-octadeca-6,12,15-trienoyl]amino]pentanoic acid Openeye Name: 2-[[(6E,12E,15E)-9-hydroxy-10-oxo-octadeca-6,12,15-trienoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[(6E,12E,15E)-9-hydroxy-1,10-dioxooctadeca-6,12,15-trienyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[(6E,12E,15E)-9-hydroxy-10-oxooctadeca-6,12,15-trienoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[(6E,12E,15E)-9-hydroxy-10-keto-octadeca-6,12,15-trienoyl]amino]-3-methyl-valeric acid Formula: C24H39NO5 MolecularWeight: 421.57016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39NO5/c1-4-6-7-8-10-13-16-20(26)21(27)17-14-11-9-12-15-18-22(28)25-23(24(29)30)19(3)5-2/h6-7,10-11,13-14,19,21,23,27H,4-5,8-9,12,15-18H2,1-3H3,(H,25,28)(H,29,30)/b7-6+,13-10+,14-11+