Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H30Cl2N6O6S.CH4O3S |
| Molecular Weight | 781.683 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.OC(=O)[C@H](CC1=CC=C(NC(=O)C2=C(Cl)C=NC=C2Cl)C=C1)NC(=O)[C@@H]3C[C@H](CN3S(=O)(=O)C4=CC=CC(=C4)C#N)NC5CCC5
InChI
InChIKey=KHZPBUGRFNTMOR-YHEIIOCHSA-N
InChI=1S/C31H30Cl2N6O6S.CH4O3S/c32-24-15-35-16-25(33)28(24)30(41)37-21-9-7-18(8-10-21)12-26(31(42)43)38-29(40)27-13-22(36-20-4-2-5-20)17-39(27)46(44,45)23-6-1-3-19(11-23)14-34;1-5(2,3)4/h1,3,6-11,15-16,20,22,26-27,36H,2,4-5,12-13,17H2,(H,37,41)(H,38,40)(H,42,43);1H3,(H,2,3,4)/t22-,26+,27+;/m1./s1
| Molecular Formula | C31H30Cl2N6O6S |
| Molecular Weight | 685.578 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | CH4O3S |
| Molecular Weight | 96.106 |
| 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 01:56:37 GMT 2023
by
admin
on
Sat Dec 16 01:56:37 GMT 2023
|
| Record UNII |
26L31S18ZX
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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26L31S18ZX
Created by
admin on Sat Dec 16 01:56:37 GMT 2023 , Edited by admin on Sat Dec 16 01:56:37 GMT 2023
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865111-04-2
Created by
admin on Sat Dec 16 01:56:37 GMT 2023 , Edited by admin on Sat Dec 16 01:56:37 GMT 2023
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91827078
Created by
admin on Sat Dec 16 01:56:37 GMT 2023 , Edited by admin on Sat Dec 16 01:56:37 GMT 2023
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| Related Record | Type | Details | ||
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