3-methyl-2-[[(12E)-9-oxidanyl-10-oxidanylidene-hexadeca-12,15-dienoyl]amino]pentanoic acid

Systemtic Name: 3-methyl-2-[[(12E)-9-oxidanyl-10-oxidanylidene-hexadeca-12,15-dienoyl]amino]pentanoic acid Openeye Name: 2-[[(12E)-9-hydroxy-10-oxo-hexadeca-12,15-dienoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[(12E)-9-hydroxy-1,10-dioxohexadeca-12,15-dienyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[(12E)-9-hydroxy-10-oxohexadeca-12,15-dienoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[(12E)-9-hydroxy-10-keto-hexadeca-12,15-dienoyl]amino]-3-methyl-valeric acid Formula: C22H37NO5 MolecularWeight: 395.53288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CCCCCCCC(C(=O)C/C=C/CC=C)O

InChI

InChI=1S/C22H37NO5/c1-4-6-7-11-14-18(24)19(25)15-12-9-8-10-13-16-20(26)23-21(22(27)28)17(3)5-2/h4,7,11,17,19,21,25H,1,5-6,8-10,12-16H2,2-3H3,(H,23,26)(H,27,28)/b11-7+