Account 2-(5-(1-(6-((5-azidopentyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
- Catalog No. :
- ACDCHA008
- CAS No. :
- 1529799-75-4
- Molecular Formula :
- C38H50N6O7S2
- Molecular Weight :
- 766.99
IUPAC Name:2-(5-(1-(6-((5-azidopentyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
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Product Information
| Product Name | 2-(5-(1-(6-((5-azidopentyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate |
|---|---|
| IUPAC Name | 2-(5-(1-(6-((5-azidopentyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate |
| Molecular Formula | C38H50N6O7S2 |
| Molecular Weight | 766.99 |
| SMILES | CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCCCCN=[N+]=[N-])C3=C(C=C(S(=O)(=O)O)C=C3)C2(C)C)C(C)(C)C2=C1C=CC(S(=O)(=O)[O-])=C2 |
| InChI Key | HGUKFECMEIMAIT-UHFFFAOYSA-N |
| Synonym | 3H-IndoliuM, 2-[5-[1-[6-[(6-azidohexyl)aMino]-6-oxohexyl]-1,3-dihydro-3,3-diMethyl-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-ethyl-3,3-diMethyl- 5-sulfo-, inner salt;CY3-6-N3;Sulfo Cy3(Et) C6-N3.inner salt;sulfo CY3-6-N3;CY3-6-N3 Sulfo Cy3(Et) C6-N3 |
| CAS No. | 1529799-75-4 |
Synthetic Route by SureRoute
2. ACDCHA008 Molecular Building Block Synthetic Route
2-(5-(3,3-Dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
1-ethyl-2-(5-(1-(6-((4-hydroxyphenethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
2-(3-(3,3-Dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1-ethyl-3,3-dimethyl-5-sulfo-3H-indol-1-ium