Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C38H55N5O9S |
| Molecular Weight | 757.936 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]1(C[C@@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCC3=C4CN(CC4=CC=C3)C(=O)O2)C(C)(C)C)C(=O)N[C@@]5(C[C@H]5CC)C(=O)NS(=O)(=O)C6CC6
InChI
InChIKey=KUQWGLQLLVFLSM-ONAXAZCASA-N
InChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1
| Molecular Formula | C38H55N5O9S |
| Molecular Weight | 757.936 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:01:19 UTC 2023
by
admin
on
Fri Dec 15 16:01:19 UTC 2023
|
| Record UNII |
CV3X74AO1H
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C783
Created by
admin on Fri Dec 15 16:01:19 UTC 2023 , Edited by admin on Fri Dec 15 16:01:19 UTC 2023
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NCI_THESAURUS |
C281
Created by
admin on Fri Dec 15 16:01:19 UTC 2023 , Edited by admin on Fri Dec 15 16:01:19 UTC 2023
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| Code System | Code | Type | Description | ||
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136047
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DTXSID201029738
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4939
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CHEMBL599872
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DB11929
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VANIPREVIR
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CV3X74AO1H
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24765256
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SUB35022
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923590-37-8
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m11392
Created by
admin on Fri Dec 15 16:01:19 UTC 2023 , Edited by admin on Fri Dec 15 16:01:19 UTC 2023
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C152828
Created by
admin on Fri Dec 15 16:01:19 UTC 2023 , Edited by admin on Fri Dec 15 16:01:19 UTC 2023
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9219
Created by
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100000128221
Created by
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WW-30
Created by
admin on Fri Dec 15 16:01:19 UTC 2023 , Edited by admin on Fri Dec 15 16:01:19 UTC 2023
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
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ACTIVE MOIETY |
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