Account Hydrogen 6-(2-(3-(5-((4-((6-(2-(5-(1-ethyl-3,3-dimethyl-5-sulfonato-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanamido)methyl)benzamido)methyl)-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)allylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanoate
- Catalog No. :
- ACQWAW096
- CAS No. :
- 1246943-88-3
- Molecular Formula :
- C74H88N6O16S4
- Molecular Weight :
- 1445.81
IUPAC Name:hydrogen 6-(2-(3-(5-((4-((6-(2-(5-(1-ethyl-3,3-dimethyl-5-sulfonato-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanamido)methyl)benzamido)methyl)-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)allylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanoate
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Product Information
| Product Name | Hydrogen 6-(2-(3-(5-((4-((6-(2-(5-(1-ethyl-3,3-dimethyl-5-sulfonato-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanamido)methyl)benzamido)methyl)-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)allylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanoate |
|---|---|
| IUPAC Name | hydrogen 6-(2-(3-(5-((4-((6-(2-(5-(1-ethyl-3,3-dimethyl-5-sulfonato-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanamido)methyl)benzamido)methyl)-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)allylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanoate |
| Molecular Formula | C74H88N6O16S4 |
| Molecular Weight | 1445.81 |
| SMILES | CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCC3=CC=C(C(=O)NCC4=CC5=C(C=C4)[N+](CCCS(=O)(=O)[O-])=C(C=CC=C4N(CCCCCC(=O)[O-])C6=CC=C(S(=O)(=O)[O-])C=C6C4(C)C)C5(C)C)C=C3)C3=CC=C(S(=O)(=O)[O-])C=C3C2(C)C)C(C)(C)C2=C1C=CC(S(=O)(=O)[O-])=C2.[H+].[H+].[H+] |
| InChI Key | PCMPQWGUUFYGJN-UHFFFAOYSA-N |
| CAS No. | 1246943-88-3 |
Synthetic Route by SureRoute
2. ACQWAW096 Molecular Building Block Synthetic Route
2-(3-(1-(6-((4-(1,2,4,5-Tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-1-(3-sulfopropyl)-3H-indol-1-ium-5-sulfonate
3-(2-(7-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
3-(2-(5-(1-(6-((4-(1,2,4,5-Tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate