Account 3-(2-(5-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(5-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)oxy)-5-oxopentyl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
- Catalog No. :
- ACJKBT675
- CAS No. :
- 1648878-64-1
- Molecular Formula :
- C39H45N3O16S4
- Molecular Weight :
- 940.06
IUPAC Name:3-((Z)-2-((2E,4E)-5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3-(5-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)oxy)-5-oxopentyl)-3-methyl-5-sulfoindolin-1-yl)propane-1-sulfonate
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Product Information
| Product Name | 3-(2-(5-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(5-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)oxy)-5-oxopentyl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate |
|---|---|
| IUPAC Name | 3-((Z)-2-((2E,4E)-5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3-(5-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)oxy)-5-oxopentyl)-3-methyl-5-sulfoindolin-1-yl)propane-1-sulfonate |
| Molecular Formula | C39H45N3O16S4 |
| Molecular Weight | 940.06 |
| SMILES | O=S(CCC[N+]1=C(/C=C/C=C/C=C2N(CCCS(=O)(O)=O)C3=C(C=C(S(=O)(O)=O)C=C3)C\2(C)C)C(C)(CCCCC(ON4C(C=CC4=O)=O)=O)C5=C1C=CC(S(=O)(O)=O)=C5)([O-])=O |
| InChI Key | LWEWWSMILWWTIR-UHFFFAOYSA-N |
| CAS No. | 1648878-64-1 |
Synthetic Route by SureRoute
2. ACJKBT675 Molecular Building Block Synthetic Route
3-(2-(5-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(5-((2,5-dioxopyrrolidin-1-yl)oxy)-5-oxopentyl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
3-(2-(5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
AF647-NHS ester tripotassium