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

Systemtic Name: 2-[(5E)-4,4-di(heptanoyl)-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-5-pyrrol-2-ylidene-pyrrolidin-2-yl]propanoic acid Openeye Name: 2-[(5E)-4,4-di(heptanoyl)-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-oxoheptyl)-5-(2-pyrrolylidene)-2-pyrrolidinyl]propanoic acid IUPAC Name: 2-[(5E)-4,4-di(heptanoyl)-2-(1-hydroxy-1-oxopropan-2-yl)-5-pyrrol-2-ylidenepyrrolidin-2-yl]propanoic acid Traditional Name: 2-[(5E)-4,4-dienanthyl-2-(2-hydroxy-2-keto-1-methyl-ethyl)-5-pyrrol-2-ylidene-pyrrolidin-2-yl]propionic acid Formula: C28H42N2O6 MolecularWeight: 502.64288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O6/c1-5-7-9-11-15-22(31)27(23(32)16-12-10-8-6-2)18-28(19(3)25(33)34,20(4)26(35)36)30-24(27)21-14-13-17-29-21/h13-14,17,19-20,30H,5-12,15-16,18H2,1-4H3,(H,33,34)(H,35,36)/b24-21+