Account 2-((3R,11S,17S,20S,25aS)-20-((1H-Indol-3-yl)methyl)-3-carbamoyl-11-(4-guanidinobutyl)-1,9,12,15,18,21-hexaoxodocosahydro-1H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl)acetic acid acetate
- Catalog No. :
- ACXSEO407
- CAS No. :
- 1248559-53-6
- Molecular Formula :
- C37H53N11O11S2
- Molecular Weight :
- 892.03
IUPAC Name:2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-3-carbamoyl-11-(4-guanidinobutyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid--acetic acid (1/1)
![2-((3R,11S,17S,20S,25aS)-20-((1H-Indol-3-yl)methyl)-3-carbamoyl-11-(4-guanidinobutyl)-1,9,12,15,18,21-hexaoxodocosahydro-1H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl)acetic acid acetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 2-((3R,11S,17S,20S,25aS)-20-((1H-Indol-3-yl)methyl)-3-carbamoyl-11-(4-guanidinobutyl)-1,9,12,15,18,21-hexaoxodocosahydro-1H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl)acetic acid acetate |
|---|---|
| IUPAC Name | 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-3-carbamoyl-11-(4-guanidinobutyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid--acetic acid (1/1) |
| Molecular Formula | C37H53N11O11S2 |
| Molecular Weight | 892.03 |
| SMILES | NC(NCCCC[C@H](NC(CCSSC[C@@H](C(N)=O)NC1=O)=O)C(NCC(N[C@@H](CC(O)=O)C(N[C@@H](CC2=CNC3=CC=CC=C32)C(N4[C@@]1([H])CCC4)=O)=O)=O)=O)=N.CC(O)=O |
| InChI Key | KWKBRYJYRIUYEI-QMYFOHRPSA-N |
| Synonym | Eptifibatide monoacetate |
| CAS No. | 1248559-53-6 |
Synthetic Route by SureRoute
2. ACXSEO407 Molecular Building Block Synthetic Route
2-((3R,11S,17S,20S,25aS)-20-((1H-Indol-3-yl)methyl)-3-carbamoyl-11-(4-guanidinobutyl)-1,9,12,15,18,21-hexaoxodocosahydro-1H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl)acetic acid
2-((3R,11S,17S,20S,25aS)-20-((1H-Indol-3-yl)methyl)-3-carbamoyl-11-(4-guanidinobutyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid acetic acid (1:x)
2-(20-((1H-indol-3-yl)methyl)-3-carbamoyl-11-(4-((diaminomethylene)amino)butyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid