3-methyl-2-[[(12E,15E)-9-oxidanyl-10-oxidanylidene-icosa-12,15-dienoyl]amino]pentanoic acid

Systemtic Name: 3-methyl-2-[[(12E,15E)-9-oxidanyl-10-oxidanylidene-icosa-12,15-dienoyl]amino]pentanoic acid Openeye Name: 2-[[(12E,15E)-9-hydroxy-10-oxo-icosa-12,15-dienoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[(12E,15E)-9-hydroxy-1,10-dioxoeicosa-12,15-dienyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[(12E,15E)-9-hydroxy-10-oxoicosa-12,15-dienoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[(12E,15E)-9-hydroxy-10-keto-eicosa-12,15-dienoyl]amino]-3-methyl-valeric acid Formula: C26H45NO5 MolecularWeight: 451.6392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H45NO5/c1-4-6-7-8-9-10-12-15-18-22(28)23(29)19-16-13-11-14-17-20-24(30)27-25(26(31)32)21(3)5-2/h8-9,12,15,21,23,25,29H,4-7,10-11,13-14,16-20H2,1-3H3,(H,27,30)(H,31,32)/b9-8+,15-12+