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

Systemtic Name: 2-[[(9E,15E)-13-oxidanyl-12-oxidanylidene-octadeca-9,15-dienoyl]amino]propanoic acid Openeye Name: 2-[[(9E,15E)-13-hydroxy-12-oxo-octadeca-9,15-dienoyl]amino]propanoic acid CAS Name: 2-[[(9E,15E)-13-hydroxy-1,12-dioxooctadeca-9,15-dienyl]amino]propanoic acid IUPAC Name: 2-[[(9E,15E)-13-hydroxy-12-oxooctadeca-9,15-dienoyl]amino]propanoic acid Traditional Name: 2-[[(9E,15E)-13-hydroxy-12-keto-octadeca-9,15-dienoyl]amino]propionic acid Formula: C21H35NO5 MolecularWeight: 381.5063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO5/c1-3-4-11-14-18(23)19(24)15-12-9-7-5-6-8-10-13-16-20(25)22-17(2)21(26)27/h4,9,11-12,17-18,23H,3,5-8,10,13-16H2,1-2H3,(H,22,25)(H,26,27)/b11-4+,12-9+