3-methyl-2-[[(12E,15E)-17-methyl-9-oxidanyl-10-oxidanylidene-octadeca-12,15-dienoyl]amino]pentanoic acid

Systemtic Name: 3-methyl-2-[[(12E,15E)-17-methyl-9-oxidanyl-10-oxidanylidene-octadeca-12,15-dienoyl]amino]pentanoic acid Openeye Name: 2-[[(12E,15E)-9-hydroxy-17-methyl-10-oxo-octadeca-12,15-dienoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[(12E,15E)-9-hydroxy-17-methyl-1,10-dioxooctadeca-12,15-dienyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[(12E,15E)-9-hydroxy-17-methyl-10-oxooctadeca-12,15-dienoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[(12E,15E)-9-hydroxy-10-keto-17-methyl-octadeca-12,15-dienoyl]amino]-3-methyl-valeric acid Formula: C25H43NO5 MolecularWeight: 437.61262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43NO5/c1-5-20(4)24(25(30)31)26-23(29)18-14-8-6-7-12-16-21(27)22(28)17-13-10-9-11-15-19(2)3/h10-11,13,15,19-21,24,27H,5-9,12,14,16-18H2,1-4H3,(H,26,29)(H,30,31)/b13-10+,15-11+