4-[6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoylamino]cyclohexene-1,2-dicarboxylic acid

Systemtic Name: 4-[6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoylamino]cyclohexene-1,2-dicarboxylic acid Openeye Name: 4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]cyclohexene-1,2-dicarboxylic acid CAS Name: 4-[[6-(2,5-dioxo-1-pyrrolyl)-1-oxohexyl]amino]cyclohexene-1,2-dicarboxylic acid IUPAC Name: 4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]cyclohexene-1,2-dicarboxylic acid Traditional Name: 4-(6-maleimidohexanoylamino)cyclohexene-1,2-dicarboxylic acid Formula: C18H22N2O7 MolecularWeight: 378.37648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(CC1NC(=O)CCCCCN2C(=O)C=CC2=O)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(=C(CC1NC(=O)CCCCCN2C(=O)C=CC2=O)C(=O)O)C(=O)O

InChI

InChI=1S/C18H22N2O7/c21-14(4-2-1-3-9-20-15(22)7-8-16(20)23)19-11-5-6-12(17(24)25)13(10-11)18(26)27/h7-8,11H,1-6,9-10H2,(H,19,21)(H,24,25)(H,26,27)