Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C45H48F3N7O6S |
| Molecular Weight | 871.966 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(O)C1=CC2=C(SC(=N2)[C@H]3CC[C@H](CN4CC5(CC(CCNC6=CC=CC7=C6C(=O)N(C8CCC(=O)NC8=O)C7=O)C5)C4)CC3)C=C1NC(=O)C9=CC=CC(=N9)C(F)(F)F
InChI
InChIKey=WDRJGMSUTPVXDH-KBOGUJPVSA-N
InChI=1S/C45H48F3N7O6S/c1-43(2,61)28-17-32-34(18-31(28)51-38(57)30-7-4-8-35(50-30)45(46,47)48)62-40(52-32)26-11-9-24(10-12-26)21-54-22-44(23-54)19-25(20-44)15-16-49-29-6-3-5-27-37(29)42(60)55(41(27)59)33-13-14-36(56)53-39(33)58/h3-8,17-18,24-26,33,49,61H,9-16,19-23H2,1-2H3,(H,51,57)(H,53,56,58)/t24-,26-,33?
| Molecular Formula | C45H48F3N7O6S |
| Molecular Weight | 871.966 |
| Charge | 0 |
| 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 11:19:34 GMT 2025
by
admin
on
Wed Apr 02 11:19:34 GMT 2025
|
| Record UNII |
AQ5UXV5646
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English | ||
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Official Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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C190059
Created by
admin on Wed Apr 02 11:19:34 GMT 2025 , Edited by admin on Wed Apr 02 11:19:34 GMT 2025
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12914
Created by
admin on Wed Apr 02 11:19:34 GMT 2025 , Edited by admin on Wed Apr 02 11:19:34 GMT 2025
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AQ5UXV5646
Created by
admin on Wed Apr 02 11:19:34 GMT 2025 , Edited by admin on Wed Apr 02 11:19:34 GMT 2025
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PRIMARY | |||
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2655656-99-6
Created by
admin on Wed Apr 02 11:19:34 GMT 2025 , Edited by admin on Wed Apr 02 11:19:34 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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