Account Lumirubin
- Catalog No. :
- ACFXTL752
- CAS No. :
- 83664-21-5
- Molecular Formula :
- C33H36N4O6
- Molecular Weight :
- 584.67
IUPAC Name:(Z)-3-(2-((6-(2-carboxyethyl)-3,5a-dimethyl-2-oxo-2,3,5,5a-tetrahydro-1H-cyclohepta[2,1-b:4,5-b']dipyrrol-7-yl)methyl)-4-methyl-5-((3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid
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Product Information
| Product Name | Lumirubin |
|---|---|
| IUPAC Name | (Z)-3-(2-((6-(2-carboxyethyl)-3,5a-dimethyl-2-oxo-2,3,5,5a-tetrahydro-1H-cyclohepta[2,1-b:4,5-b']dipyrrol-7-yl)methyl)-4-methyl-5-((3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid |
| Molecular Formula | C33H36N4O6 |
| Molecular Weight | 584.67 |
| SMILES | O=C(O)CCC1=C(CC2=C(CCC(O)=O)C3(C)C(C=C(C(C4C)=CC3)NC4=O)=N2)NC(/C=C(C(C)=C5C=C)\NC5=O)=C1C |
| InChI Key | BYVDUQYJIIPFIB-CFRMEGHHSA-N |
| Synonym | lumirubin;1H-Cyclohepta[2,1-b:4,5-b']dipyrrole-6-propanoic acid, 7-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-2,3,5,5a-tetrahydro-3,5a-dimethyl-2-oxo- |
| CAS No. | 83664-21-5 |
Synthetic Route by SureRoute
2. ACFXTL752 Molecular Building Block Synthetic Route
phycocyanobilin
3-((Z)-2-((3-(2-Carboxyethyl)-4-methyl-5-((Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-2-yl)methylene)-4-methyl-5-((Z)-(4-methyl-5-oxopyrrolidin-2-ylidene)methyl)-2H-pyrrol-3-yl)propanoic acid
3-((Z)-2-((3-(2-Carboxyethyl)-4-methyl-5-((Z)-(3-methyl-5-oxo-4-vinyl-1H-pyrrol-2(5H)-ylidene)methyl)-1H-pyrrol-2-yl)methylene)-4-methyl-5-((Z)-(4-methyl-5-oxo-3-vinyl-1H-pyrrol-2(5H)-ylidene)methyl)-2H-pyrrol-3-yl)propanoic acid hydrochloride