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-JZQJVTDKSA-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-/m1/s1
| Molecular Formula | C35H35F2N8O5S |
| Molecular Weight | 717.765 |
| Charge | 1 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 19:47:34 GMT 2025
by
admin
on
Wed Apr 02 19:47:34 GMT 2025
|
| Record UNII |
B87BK7DRB7
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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2169911-47-9
Created by
admin on Wed Apr 02 19:47:34 GMT 2025 , Edited by admin on Wed Apr 02 19:47:34 GMT 2025
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11549573
Created by
admin on Wed Apr 02 19:47:34 GMT 2025 , Edited by admin on Wed Apr 02 19:47:34 GMT 2025
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PRIMARY | |||
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B87BK7DRB7
Created by
admin on Wed Apr 02 19:47:34 GMT 2025 , Edited by admin on Wed Apr 02 19:47:34 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
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![Structure of [2-[1-[1-[(2R,3S)-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;chloride;hydrochloride](/img/e4d92f7a-0501-422f-a174-d27387b3c5c4.svg "Structure of [2-[1-[1-[(2R,3S)-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;chloride;hydrochloride")