Account 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
- Catalog No. :
- ACLXWH305
- CAS No. :
- 148031-34-9
- Molecular Formula :
- C35H49N11O9S2
- Molecular Weight :
- 831.98
IUPAC Name: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
![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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| MDL No. | MFCD05662245 |
| Molecular Formula | C35H49N11O9S2 |
| Molecular Weight | 831.98 |
| SMILES | NC(=O)C1CSSCCC(=O)NC(CCCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)N2CCCC2C(=O)N1 |
| InChI Key | CZKPOZZJODAYPZ-UHFFFAOYSA-N |
| Synonym | INTEGRELIN;EPTIFIBATIDE ACETATE;MAP-LYS-GLY-ASP-TRP-PRO-CYS-NH2;Mpr-Harg-Gly-Asp-Trp-Pro-Cys-NH2,( Disulfide Bridge:1-7);Human Eptifibatide;Eptifitide;Mpr-Harg-Gly-Asp-Trp-Pro-Cys-NH2,( Disulfide Bridg on Mpr and Cys);EFTIFIBATIDE |
| CAS No. | 148031-34-9 |
Synthetic Route by SureRoute
2. ACLXWH305 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-((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