2-[(5E)-4,4-di(hexanoyl)-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-5-pyrrol-2-ylidene-pyrrolidin-2-yl]propanoic acid

Systemtic Name: 2-[(5E)-4,4-di(hexanoyl)-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-5-pyrrol-2-ylidene-pyrrolidin-2-yl]propanoic acid Openeye Name: 2-[(5E)-4,4-di(hexanoyl)-2-(2-hydroxy-1-methyl-2-oxo-ethyl)-5-pyrrol-2-ylidene-pyrrolidin-2-yl]propanoic acid CAS Name: 2-[(5E)-2-(1-hydroxy-1-oxopropan-2-yl)-4,4-bis(1-oxohexyl)-5-(2-pyrrolylidene)-2-pyrrolidinyl]propanoic acid IUPAC Name: 2-[(5E)-4,4-di(hexanoyl)-2-(1-hydroxy-1-oxopropan-2-yl)-5-pyrrol-2-ylidenepyrrolidin-2-yl]propanoic acid Traditional Name: 2-[(5E)-4,4-dicaproyl-2-(2-hydroxy-2-keto-1-methyl-ethyl)-5-pyrrol-2-ylidene-pyrrolidin-2-yl]propionic acid Formula: C26H38N2O6 MolecularWeight: 474.58972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1(CC(NC1=C2C=CC=N2)(C(C)C(=O)O)C(C)C(=O)O)C(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)C\1(CC(N/C1=C/2\C=CC=N2)(C(C)C(=O)O)C(C)C(=O)O)C(=O)CCCCC

InChI

InChI=1S/C26H38N2O6/c1-5-7-9-13-20(29)25(21(30)14-10-8-6-2)16-26(17(3)23(31)32,18(4)24(33)34)28-22(25)19-12-11-15-27-19/h11-12,15,17-18,28H,5-10,13-14,16H2,1-4H3,(H,31,32)(H,33,34)/b22-19+