Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H33N9O5S |
| Molecular Weight | 643.716 |
| 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)NCC(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=SABSCBURWCAQPS-WGAMMNODSA-N
InChI=1S/C31H33N9O5S/c1-18(46-17-21(32)31(45)36-16-25(42)43)15-24(41)39-13-4-5-22(39)29-38-26(27-28(33)35-12-14-40(27)29)19-7-9-20(10-8-19)30(44)37-23-6-2-3-11-34-23/h2-3,6-12,14-15,21-22H,4-5,13,16-17,32H2,1H3,(H2,33,35)(H,36,45)(H,42,43)(H,34,37,44)/b18-15+/t21-,22-/m0/s1
| Molecular Formula | C31H33N9O5S |
| Molecular Weight | 643.716 |
| 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 14:53:49 UTC 2023
by
admin
on
Sat Dec 16 14:53:49 UTC 2023
|
| Record UNII |
F56FYJ46HD
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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F56FYJ46HD
Created by
admin on Sat Dec 16 14:53:49 UTC 2023 , Edited by admin on Sat Dec 16 14:53:49 UTC 2023
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156596825
Created by
admin on Sat Dec 16 14:53:49 UTC 2023 , Edited by admin on Sat Dec 16 14:53:49 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
PLASMA; URINE
|
