Account 3-(2-(7-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)hepta-1,3,5-trien-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
- Catalog No. :
- ACMWCE655
- CAS No. :
- 407627-85-4
- Molecular Formula :
- C42H51N3O16S4
- Molecular Weight :
- 982.14
IUPAC Name:3-(2-((1E,3E,5E)-7-((Z)-3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)hepta-1,3,5-trien-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
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Product Information
| Product Name | 3-(2-(7-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)hepta-1,3,5-trien-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 |
|---|---|
| IUPAC Name | 3-(2-((1E,3E,5E)-7-((Z)-3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)hepta-1,3,5-trien-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 |
| Molecular Formula | C42H51N3O16S4 |
| Molecular Weight | 982.14 |
| SMILES | O=C(CCCCCC1(C)C2=C([N+](CCCS(=O)([O-])=O)=C1/C=C/C=C/C=C/C=C3N(CCCS(=O)(O)=O)C4=CC=C(S(=O)(O)=O)C=C4C\3(C)C)C=CC(S(=O)(O)=O)=C2)ON5C(CCC5=O)=O |
| InChI Key | DUBAWKIZCUNQKN-UHFFFAOYSA-N |
| CAS No. | 407627-85-4 |
Synthetic Route by SureRoute
2. ACMWCE655 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