3-methyl-2-[[(9E,15E)-13-oxidanyl-12-oxidanylidene-octadeca-9,15-dienoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[(9E,15E)-13-oxidanyl-12-oxidanylidene-octadeca-9,15-dienoyl]amino]butanoic acid Openeye Name: 2-[[(9E,15E)-13-hydroxy-12-oxo-octadeca-9,15-dienoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[(9E,15E)-13-hydroxy-1,12-dioxooctadeca-9,15-dienyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[(9E,15E)-13-hydroxy-12-oxooctadeca-9,15-dienoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[(9E,15E)-13-hydroxy-12-keto-octadeca-9,15-dienoyl]amino]-3-methyl-butyric acid Formula: C23H39NO5 MolecularWeight: 409.55946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39NO5/c1-4-5-12-15-19(25)20(26)16-13-10-8-6-7-9-11-14-17-21(27)24-22(18(2)3)23(28)29/h5,10,12-13,18-19,22,25H,4,6-9,11,14-17H2,1-3H3,(H,24,27)(H,28,29)/b12-5+,13-10+