Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C35H35F2N8O5S |
| Molecular Weight | 717.765 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Charge | 1 |
SHOW SMILES / InChI
SMILES
CNCC(=O)OCC1=CC=CN=C1N(C)C(=O)OC(C)[N+]2=CN(C[C@](O)([C@@H](C)C3=NC(=CS3)C4=CC=C(C=C4)C#N)C5=C(F)C=CC(F)=C5)N=C2
InChI
InChIKey=RSWOJTICKMKTER-FWPBNEISSA-N
InChI=1S/C35H35F2N8O5S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3/q+1/t22-,23?,35-/m0/s1
Approval Year
| Name | Type | Language | ||
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Preferred Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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129011695
Created by
admin on Wed Apr 02 19:43:37 GMT 2025 , Edited by admin on Wed Apr 02 19:43:37 GMT 2025
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PRIMARY | |||
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HG99TNK2DU
Created by
admin on Wed Apr 02 19:43:37 GMT 2025 , Edited by admin on Wed Apr 02 19:43:37 GMT 2025
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PRIMARY |
![Structure of [2-[1-[1-[(2S,3R)-3-[4-(4-Cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]pyridin-3-yl]methyl 2-(methylamino)acetate](/img/71f5f7fe-3fed-4873-ab96-5cdee193412c.svg "Structure of [2-[1-[1-[(2S,3R)-3-[4-(4-Cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]pyridin-3-yl]methyl 2-(methylamino)acetate")