Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H35F4N3O10S |
| Molecular Weight | 717.682 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(F)(CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C[C@H](N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)S(C)(=O)=O)C(F)(F)F)C(=O)NC4(CC4)C#N
InChI
InChIKey=XHSMOYVDHUJUTE-XNMFSWTPSA-N
InChI=1S/C31H35F4N3O10S/c1-29(32,15-47-28-23(41)21(39)22(40)24(48-28)27(43)44)13-20(26(42)38-30(14-36)11-12-30)37-25(31(33,34)35)18-5-3-16(4-6-18)17-7-9-19(10-8-17)49(2,45)46/h3-10,20-25,28,37,39-41H,11-13,15H2,1-2H3,(H,38,42)(H,43,44)/t20-,21-,22-,23+,24-,25-,28+,29?/m0/s1
| Molecular Formula | C31H35F4N3O10S |
| Molecular Weight | 717.682 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 7 / 8 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:00:31 UTC 2023
by
admin
on
Sat Dec 16 16:00:31 UTC 2023
|
| Record UNII |
G5U3L6136J
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
G5U3L6136J
Created by
admin on Sat Dec 16 16:00:31 UTC 2023 , Edited by admin on Sat Dec 16 16:00:31 UTC 2023
|
PRIMARY | |||
|
1356006-25-1
Created by
admin on Sat Dec 16 16:00:31 UTC 2023 , Edited by admin on Sat Dec 16 16:00:31 UTC 2023
|
PRIMARY | |||
|
146675096
Created by
admin on Sat Dec 16 16:00:31 UTC 2023 , Edited by admin on Sat Dec 16 16:00:31 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
URINE
|
