3-methyl-2-[[1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-5-oxidanyl-3-oxidanylidene-2H-pyrrol-2-yl]methyl]-2-oxidanyl-pentanoic acid

Systemtic Name: 3-methyl-2-[[1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-5-oxidanyl-3-oxidanylidene-2H-pyrrol-2-yl]methyl]-2-oxidanyl-pentanoic acid Openeye Name: 2-hydroxy-2-[[5-hydroxy-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3-oxo-2H-pyrrol-2-yl]methyl]-3-methyl-pentanoic acid CAS Name: 2-hydroxy-2-[[5-hydroxy-1-methyl-3-oxo-4-[(2E,4E)-1-oxoocta-2,4-dienyl]-2H-pyrrol-2-yl]methyl]-3-methylpentanoic acid IUPAC Name: 2-hydroxy-2-[[5-hydroxy-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3-oxo-2H-pyrrol-2-yl]methyl]-3-methylpentanoic acid Traditional Name: 2-hydroxy-2-[[5-hydroxy-3-keto-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-2-pyrrolin-2-yl]methyl]-3-methyl-valeric acid Formula: C20H29NO6 MolecularWeight: 379.44736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC=CC(=O)C1=C(N(C(C1=O)CC(C(C)CC)(C(=O)O)O)C)O

Isomeric SMILES

CCC/C=C/C=C/C(=O)C1=C(N(C(C1=O)CC(C(C)CC)(C(=O)O)O)C)O

InChI

InChI=1S/C20H29NO6/c1-5-7-8-9-10-11-15(22)16-17(23)14(21(4)18(16)24)12-20(27,19(25)26)13(3)6-2/h8-11,13-14,24,27H,5-7,12H2,1-4H3,(H,25,26)/b9-8+,11-10+