Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H27N3O8S |
| Molecular Weight | 493.53 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]1(NC(C(O)=O)=C(S[C@@H]2CN[C@@H](C2)C(=O)NC3=CC=CC(=C3)C(O)=O)[C@@H]1C)[C@@H]([C@@H](C)O)C(O)=O
InChI
InChIKey=LMDXYCKWMWUYCV-ANEDZVCMSA-N
InChI=1S/C22H27N3O8S/c1-9-16(15(10(2)26)21(30)31)25-17(22(32)33)18(9)34-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)20(28)29/h3-6,9-10,13-16,23,25-26H,7-8H2,1-2H3,(H,24,27)(H,28,29)(H,30,31)(H,32,33)/t9-,10-,13+,14+,15-,16-/m1/s1
| Molecular Formula | C22H27N3O8S |
| Molecular Weight | 493.53 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:55:41 UTC 2023
by
admin
on
Sat Dec 16 14:55:41 UTC 2023
|
| Record UNII |
YP440V6LGX
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
YP440V6LGX
Created by
admin on Sat Dec 16 14:55:41 UTC 2023 , Edited by admin on Sat Dec 16 14:55:41 UTC 2023
|
PRIMARY | |||
|
357154-27-9
Created by
admin on Sat Dec 16 14:55:41 UTC 2023 , Edited by admin on Sat Dec 16 14:55:41 UTC 2023
|
PRIMARY | |||
|
45105276
Created by
admin on Sat Dec 16 14:55:41 UTC 2023 , Edited by admin on Sat Dec 16 14:55:41 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE INACTIVE |
MAJOR
URINE
|
