Products 83664-21-5

CAS 83664-21-5 is the registry number for Lumirubin. Offered by: TargetMol. Available pack sizes: 25mg, 50mg, 100mg.

Structural formula: {0} (CAS {1})

3-[2-[[6-(2-carboxyethyl)-7,11-dimethyl-12-oxo-4,13-diazatricyclo[8.3.0.03,7]trideca-1,3,5,9-tetraen-5-yl]methyl]-5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid (CAS 83664-21-5) is a chemical compound with the molecular formula C33H36N4O6 and a molecular weight of 584.7 g/mol. IUPAC name: 3-[2-[[6-(2-carboxyethyl)-7,11-dimethyl-12-oxo-4,13-diazatricyclo[8.3.0.03,7]trideca-1,3,5,9-tetraen-5-yl]methyl]-5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid. InChIKey: BYVDUQYJIIPFIB-ZMOGYAJESA-N.

Identity
Molecular formulaC33H36N4O6
Molecular weight584.7 g/mol
IUPAC name3-[2-[[6-(2-carboxyethyl)-7,11-dimethyl-12-oxo-4,13-diazatricyclo[8.3.0.03,7]trideca-1,3,5,9-tetraen-5-yl]methyl]-5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
InChIKeyBYVDUQYJIIPFIB-ZMOGYAJESA-N
SMILESCC1C2=CCC3(C(=NC(=C3CCC(=O)O)CC4=C(C(=C(N4)/C=C/5\C(=C(C(=O)N5)C=C)C)C)CCC(=O)O)C=C2NC1=O)C

Computed by PubChem (NCBI)