3-(1H-imidazol-5-yl)-2-[[(12E,15E)-9-oxidanyl-10-oxidanylidene-octadeca-12,15-dienoyl]amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[[(12E,15E)-9-oxidanyl-10-oxidanylidene-octadeca-12,15-dienoyl]amino]propanoic acid Openeye Name: 2-[[(12E,15E)-9-hydroxy-10-oxo-octadeca-12,15-dienoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[(12E,15E)-9-hydroxy-1,10-dioxooctadeca-12,15-dienyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[[(12E,15E)-9-hydroxy-10-oxooctadeca-12,15-dienoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[[(12E,15E)-9-hydroxy-10-keto-octadeca-12,15-dienoyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C24H37N3O5 MolecularWeight: 447.56768

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC(=O)C(CCCCCCCC(=O)NC(CC1=CN=CN1)C(=O)O)O

Isomeric SMILES

CC/C=C/C/C=C/CC(=O)C(CCCCCCCC(=O)NC(CC1=CN=CN1)C(=O)O)O

InChI

InChI=1S/C24H37N3O5/c1-2-3-4-5-7-10-13-21(28)22(29)14-11-8-6-9-12-15-23(30)27-20(24(31)32)16-19-17-25-18-26-19/h3-4,7,10,17-18,20,22,29H,2,5-6,8-9,11-16H2,1H3,(H,25,26)(H,27,30)(H,31,32)/b4-3+,10-7+