Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C43H50N8O10S2 |
| Molecular Weight | 903.035 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12C[C@]1(NC(=O)[C@]3([H])C[C@H](CN3C(=O)[C@H](CCCCC[C@H](SC[C@H](N)C(O)=O)[C@@H]2O)NC(=O)C4=CN=C(C)C=N4)OC5=NC6=C(C=CC=C6)C7=C5C=CC=C7)C(=O)NS(=O)(=O)C8CC8
InChI
InChIKey=JIGNASPCIUXKGH-UQSTUKRTSA-N
InChI=1S/C43H50N8O10S2/c1-23-19-46-33(20-45-23)37(53)47-32-13-3-2-4-14-35(62-22-30(44)41(56)57)36(52)29-18-43(29,42(58)50-63(59,60)25-15-16-25)49-38(54)34-17-24(21-51(34)40(32)55)61-39-28-11-6-5-9-26(28)27-10-7-8-12-31(27)48-39/h5-12,19-20,24-25,29-30,32,34-36,52H,2-4,13-18,21-22,44H2,1H3,(H,47,53)(H,49,54)(H,50,58)(H,56,57)/t24-,29+,30+,32+,34+,35+,36-,43-/m1/s1
| Molecular Formula | C43H50N8O10S2 |
| Molecular Weight | 903.035 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:35:03 UTC 2023
by
admin
on
Sat Dec 16 14:35:03 UTC 2023
|
| Record UNII |
3YR6LQ2BCY
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Systematic Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
156596434
Created by
admin on Sat Dec 16 14:35:03 UTC 2023 , Edited by admin on Sat Dec 16 14:35:03 UTC 2023
|
PRIMARY | |||
|
3YR6LQ2BCY
Created by
admin on Sat Dec 16 14:35:03 UTC 2023 , Edited by admin on Sat Dec 16 14:35:03 UTC 2023
|
PRIMARY | |||
|
2205844-41-1
Created by
admin on Sat Dec 16 14:35:03 UTC 2023 , Edited by admin on Sat Dec 16 14:35:03 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
FECAL
|
