Account 3-(3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1-(2-(1-(3-sulfopropyl)pyridin-1-ium-4-yl)benzo[d]oxazol-6-yl)ureido)propane-1-sulfonate
- Catalog No. :
- ACQEAF967
- CAS No. :
- 1799482-29-3
- Molecular Formula :
- C29H35N5O12S2
- Molecular Weight :
- 709.76
IUPAC Name:3-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1-(2-(1-(3-sulfopropyl)pyridin-1-ium-4-yl)benzo[d]oxazol-6-yl)ureido)propane-1-sulfonate
![3-(3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1-(2-(1-(3-sulfopropyl)pyridin-1-ium-4-yl)benzo[d]oxazol-6-yl)ureido)propane-1-sulfonate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-(3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1-(2-(1-(3-sulfopropyl)pyridin-1-ium-4-yl)benzo[d]oxazol-6-yl)ureido)propane-1-sulfonate |
|---|---|
| IUPAC Name | 3-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1-(2-(1-(3-sulfopropyl)pyridin-1-ium-4-yl)benzo[d]oxazol-6-yl)ureido)propane-1-sulfonate |
| Molecular Formula | C29H35N5O12S2 |
| Molecular Weight | 709.76 |
| SMILES | O=C(CCCCCNC(=O)N(CCCS(=O)(=O)[O-])C1=CC=C2N=C(C3=CC=[N+](CCCS(=O)(=O)O)C=C3)OC2=C1)ON1C(=O)CCC1=O |
| InChI Key | BOEYXHNCYFAUCU-UHFFFAOYSA-N |
| Synonym | Pyridinium, 4-[6-[[[[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]amino]carbonyl](3-sulfopropyl)amino]-2-benzoxazolyl]-1-(3-sulfopropyl)-, inner salt |
| CAS No. | 1799482-29-3 |
Synthetic Route by SureRoute
2. ACQEAF967 Molecular Building Block Synthetic Route
3-(4-(6-(3-(5-Carboxypentyl)ureido)benzo[d]oxazol-2-yl)pyridin-1-ium-1-yl)propane-1-sulfonate
3-((2-(1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)pyridin-1-ium-4-yl)benzo[d]oxazol-6-yl)oxy)propane-1-sulfonate
3-(4-(7-((6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)(ethyl)amino)-2-oxo-2H-chromen-3-yl)pyridin-1-ium-1-yl)propane-1-sulfonate