Account 1-(3-((4-(1,2,4,5-Tetrazin-3-yl)benzyl)amino)-3-oxopropyl)-2-(3-(1-(2-carboxyethyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
- Catalog No. :
- ACVXYO239
- CAS No. :
- 1905399-93-0
- Molecular Formula :
- C38H39N7O9S2
- Molecular Weight :
- 801.90
IUPAC Name:1-(3-((4-(1,2,4,5-tetrazin-3-yl)benzyl)amino)-3-oxopropyl)-2-((E)-3-((E)-1-(2-carboxyethyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
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Product Information
| Product Name | 1-(3-((4-(1,2,4,5-Tetrazin-3-yl)benzyl)amino)-3-oxopropyl)-2-(3-(1-(2-carboxyethyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate |
|---|---|
| IUPAC Name | 1-(3-((4-(1,2,4,5-tetrazin-3-yl)benzyl)amino)-3-oxopropyl)-2-((E)-3-((E)-1-(2-carboxyethyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate |
| Molecular Formula | C38H39N7O9S2 |
| Molecular Weight | 801.90 |
| SMILES | O=C(O)CCN1C2=CC=C(C=C2C(C1=CC=CC3=[N+](C=4C=CC(=CC4C3(C)C)S(=O)(=O)[O-])CCC(=O)NCC5=CC=C(C=C5)C=6N=NC=NN6)(C)C)S(=O)(=O)O |
| InChI Key | FFFNHRVQSMWEFO-UHFFFAOYSA-N |
| Synonym | 3H-Indolium, 2-[3-[1-(2-carboxyethyl)-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1-propen-1-yl]-3,3-dimethyl-1-[3-oxo-3-[[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]propyl]-5-sulfo-, inner salt |
| CAS No. | 1905399-93-0 |
Synthetic Route by SureRoute
2. ACVXYO239 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-(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
2-(3-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-1-(6-((4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-3H-indol-1-ium-5-sulfonate