Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H32N6O4S.C2HF3O2 |
| Molecular Weight | 662.68 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C(F)(F)F.NC(=N)C1=CC=C(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1
InChI
InChIKey=GROTUJKQCVQVSB-LMIIKYDLSA-N
InChI=1S/C28H32N6O4S.C2HF3O2/c29-26(30)22-15-13-19(14-16-22)18-32-27(35)23-12-7-17-34(23)28(36)25(33-39(31,37)38)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21;3-2(4,5)1(6)7/h1-6,8-11,13-16,23-25,33H,7,12,17-18H2,(H3,29,30)(H,32,35)(H2,31,37,38);(H,6,7)/t23-,25+;/m0./s1
| Molecular Formula | C28H32N6O4S |
| Molecular Weight | 548.656 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C2HF3O2 |
| Molecular Weight | 114.0233 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:48:12 GMT 2023
by
admin
on
Sat Dec 16 10:48:12 GMT 2023
|
| Record UNII |
KBW2L5CY92
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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593235-07-5
Created by
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KBW2L5CY92
Created by
admin on Sat Dec 16 10:48:12 GMT 2023 , Edited by admin on Sat Dec 16 10:48:12 GMT 2023
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46905277
Created by
admin on Sat Dec 16 10:48:12 GMT 2023 , Edited by admin on Sat Dec 16 10:48:12 GMT 2023
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