Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H21N5O4S2 |
| Molecular Weight | 459.542 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC1=C(C#N)C(S[C@@H](C(N)=O)C2=CC=C(OS(C)(=O)=O)C=C2)=NC(N(C)C)=C1C#N
InChI
InChIKey=LCRRAHSMOCDGGH-QGZVFWFLSA-N
InChI=1S/C20H21N5O4S2/c1-5-14-15(10-21)19(25(2)3)24-20(16(14)11-22)30-17(18(23)26)12-6-8-13(9-7-12)29-31(4,27)28/h6-9,17H,5H2,1-4H3,(H2,23,26)/t17-/m1/s1
| Molecular Formula | C20H21N5O4S2 |
| Molecular Weight | 459.542 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 15:31:04 GMT 2025
by
admin
on
Wed Apr 02 15:31:04 GMT 2025
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| Record UNII |
TC2YDS3MLK
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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TC2YDS3MLK
Created by
admin on Wed Apr 02 15:31:04 GMT 2025 , Edited by admin on Wed Apr 02 15:31:04 GMT 2025
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164916022
Created by
admin on Wed Apr 02 15:31:04 GMT 2025 , Edited by admin on Wed Apr 02 15:31:04 GMT 2025
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2827712-51-4
Created by
admin on Wed Apr 02 15:31:04 GMT 2025 , Edited by admin on Wed Apr 02 15:31:04 GMT 2025
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ACTIVE MOIETY |
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![Structure of [4-[(1R)-2-amino-1-[3,5-dicyano-6-(dimethylamino)-4-ethylpyridin-2-yl]sulfanyl-2-oxoethyl]phenyl] methanesulfonate](/img/a9a69010-fd95-40e5-bd0f-02a80b77261c.svg "Structure of [4-[(1R)-2-amino-1-[3,5-dicyano-6-(dimethylamino)-4-ethylpyridin-2-yl]sulfanyl-2-oxoethyl]phenyl] methanesulfonate")