Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H31F4NO10S |
| Molecular Weight | 637.594 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(F)C[C@H](N[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)S(C)(=O)=O)C(F)(F)F)C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O
InChI
InChIKey=CLXDIFUURVULNN-WTOYAVKFSA-N
InChI=1S/C27H31F4NO10S/c1-26(2,28)12-17(24(38)42-25-20(35)18(33)19(34)21(41-25)23(36)37)32-22(27(29,30)31)15-6-4-13(5-7-15)14-8-10-16(11-9-14)43(3,39)40/h4-11,17-22,25,32-35H,12H2,1-3H3,(H,36,37)/t17-,18-,19-,20+,21-,22-,25-/m0/s1
| Molecular Formula | C27H31F4NO10S |
| Molecular Weight | 637.594 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:36:09 GMT 2023
by
admin
on
Sat Dec 16 16:36:09 GMT 2023
|
| Record UNII |
LL57Y74UPA
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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1633728-69-4
Created by
admin on Sat Dec 16 16:36:09 GMT 2023 , Edited by admin on Sat Dec 16 16:36:09 GMT 2023
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156596384
Created by
admin on Sat Dec 16 16:36:09 GMT 2023 , Edited by admin on Sat Dec 16 16:36:09 GMT 2023
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PRIMARY | |||
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LL57Y74UPA
Created by
admin on Sat Dec 16 16:36:09 GMT 2023 , Edited by admin on Sat Dec 16 16:36:09 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
URINE
|
