Account ABP 25
- Catalog No. :
- ACIEFM077
- CAS No. :
- 2965359-45-7
- Molecular Formula :
- C55H66ClN5O3
- Molecular Weight :
- 880.62
IUPAC Name:2-((1E,3E)-5-((E)-1-(5-(((R)-1-(((E)-4-(dibenzylamino)-4-oxobut-2-en-1-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-5-oxopentyl)-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride
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Product Information
| Product Name | ABP 25 |
|---|---|
| IUPAC Name | 2-((1E,3E)-5-((E)-1-(5-(((R)-1-(((E)-4-(dibenzylamino)-4-oxobut-2-en-1-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-5-oxopentyl)-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride |
| Molecular Formula | C55H66ClN5O3 |
| Molecular Weight | 880.62 |
| SMILES | CC(/C1=C\C=C\C=C\C(C(C)(C2=CC=CC=C23)C)=[N+]3C)(C4=CC=CC=C4N1CCCCC(N[C@H](CC(C)C)C(NC/C=C/C(N(CC5=CC=CC=C5)CC6=CC=CC=C6)=O)=O)=O)C.[Cl-] |
| InChI Key | CLCYYRGUFUCWNY-QXBPDYQPSA-N |
| Synonym | ABP 25;3H-Indolium, 1-[5-[[(1S)-1-[[[(2E)-4-[bis(phenylmethyl)amino]-4-oxo-2-buten-1-yl]amino]carbonyl]-3-methylbutyl]amino]-5-oxopentyl]-2-[(1E,3E,5E)-5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-, chloride (1:1) |
| CAS No. | 2965359-45-7 |
Synthetic Route by SureRoute
2. ACIEFM077 Molecular Building Block Synthetic Route
2-(5-(1-(6-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)amino)-6-oxohexyl)-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride
2-(3-(1-(6-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)amino)-6-oxohexyl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride
2-(5-(3-(6-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)amino)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1,1,3-trimethyl-1H-benzo[e]indol-3-ium chloride