Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C47H42N6O8S |
| Molecular Weight | 850.937 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC(NC2=C3C=C(C=C(C)C3=NC=C2C(N)=O)S(=O)(=O)C4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)C#CCCCNC[C@H](O)C6=C7C=CC(=O)NC7=C(O)C=C6)=CC=C1
InChI
InChIKey=HJBZAZITZDSWKD-RWYGWLOXSA-N
InChI=1S/C47H42N6O8S/c1-28-22-35(25-38-43(28)50-26-39(46(48)57)44(38)51-32-10-7-11-33(24-32)61-2)62(59,60)34-12-6-9-30(23-34)47(58)52-31-15-13-29(14-16-31)8-4-3-5-21-49-27-41(55)36-17-19-40(54)45-37(36)18-20-42(56)53-45/h6-7,9-20,22-26,41,49,54-55H,3,5,21,27H2,1-2H3,(H2,48,57)(H,50,51)(H,52,58)(H,53,56)/t41-/m0/s1
| Molecular Formula | C47H42N6O8S |
| Molecular Weight | 850.937 |
| 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 13:58:00 GMT 2025
by
admin
on
Wed Apr 02 13:58:00 GMT 2025
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| Record UNII |
9YPZ428KB4
|
| Record Status |
Validated (UNII)
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| Record Version |
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53495160
Created by
admin on Wed Apr 02 13:58:00 GMT 2025 , Edited by admin on Wed Apr 02 13:58:00 GMT 2025
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9YPZ428KB4
Created by
admin on Wed Apr 02 13:58:00 GMT 2025 , Edited by admin on Wed Apr 02 13:58:00 GMT 2025
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1346653-91-5
Created by
admin on Wed Apr 02 13:58:00 GMT 2025 , Edited by admin on Wed Apr 02 13:58:00 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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