Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H30N8O4S |
| Molecular Weight | 586.665 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C\C(SC[C@H](N)C(O)=O)=C/C(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5
InChI
InChIKey=VFUCKAAXZYKEQD-YZVUTKTQSA-N
InChI=1S/C29H30N8O4S/c1-17(42-16-20(30)29(40)41)15-23(38)36-13-4-5-21(36)27-35-24(25-26(31)33-12-14-37(25)27)18-7-9-19(10-8-18)28(39)34-22-6-2-3-11-32-22/h2-3,6-12,14-15,20-21H,4-5,13,16,30H2,1H3,(H2,31,33)(H,40,41)(H,32,34,39)/b17-15+/t20-,21-/m0/s1
| Molecular Formula | C29H30N8O4S |
| Molecular Weight | 586.665 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:59:19 GMT 2023
by
admin
on
Sat Dec 16 14:59:19 GMT 2023
|
| Record UNII |
UW2HE969FQ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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UW2HE969FQ
Created by
admin on Sat Dec 16 14:59:19 GMT 2023 , Edited by admin on Sat Dec 16 14:59:19 GMT 2023
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155929116
Created by
admin on Sat Dec 16 14:59:19 GMT 2023 , Edited by admin on Sat Dec 16 14:59:19 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
PLASMA; URINE
|
