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

Systemtic Name: 3-oxidanyl-2-[[(12E,15E)-9-oxidanyl-10-oxidanylidene-octadeca-12,15-dienoyl]amino]propanoic acid Openeye Name: 3-hydroxy-2-[[(12E,15E)-9-hydroxy-10-oxo-octadeca-12,15-dienoyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[(12E,15E)-9-hydroxy-1,10-dioxooctadeca-12,15-dienyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[(12E,15E)-9-hydroxy-10-oxooctadeca-12,15-dienoyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[(12E,15E)-9-hydroxy-10-keto-octadeca-12,15-dienoyl]amino]propionic acid Formula: C21H35NO6 MolecularWeight: 397.5057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO6/c1-2-3-4-5-7-10-13-18(24)19(25)14-11-8-6-9-12-15-20(26)22-17(16-23)21(27)28/h3-4,7,10,17,19,23,25H,2,5-6,8-9,11-16H2,1H3,(H,22,26)(H,27,28)/b4-3+,10-7+