4-azanyl-4-oxidanylidene-2-[[(12E,15E)-9-oxidanyl-10-oxidanylidene-octadeca-12,15-dienoyl]amino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[[(12E,15E)-9-oxidanyl-10-oxidanylidene-octadeca-12,15-dienoyl]amino]butanoic acid Openeye Name: 4-amino-2-[[(12E,15E)-9-hydroxy-10-oxo-octadeca-12,15-dienoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(12E,15E)-9-hydroxy-1,10-dioxooctadeca-12,15-dienyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[(12E,15E)-9-hydroxy-10-oxooctadeca-12,15-dienoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[(12E,15E)-9-hydroxy-10-keto-octadeca-12,15-dienoyl]amino]-4-keto-butyric acid Formula: C22H36N2O6 MolecularWeight: 424.53104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O6/c1-2-3-4-5-7-10-13-18(25)19(26)14-11-8-6-9-12-15-21(28)24-17(22(29)30)16-20(23)27/h3-4,7,10,17,19,26H,2,5-6,8-9,11-16H2,1H3,(H2,23,27)(H,24,28)(H,29,30)/b4-3+,10-7+