Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H27ClFN5O5S |
| Molecular Weight | 612.072 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)N[C@@H](CSCCC(=O)NC1=CC2=C(NC3=CC=C(OCC4=CC=CC(F)=C4)C(Cl)=C3)N=CN=C2C=C1)C(O)=O
InChI
InChIKey=QQNZHPGLYRLDOM-VWLOTQADSA-N
InChI=1S/C29H27ClFN5O5S/c1-17(37)34-25(29(39)40)15-42-10-9-27(38)35-20-5-7-24-22(12-20)28(33-16-32-24)36-21-6-8-26(23(30)13-21)41-14-18-3-2-4-19(31)11-18/h2-8,11-13,16,25H,9-10,14-15H2,1H3,(H,34,37)(H,35,38)(H,39,40)(H,32,33,36)/t25-/m0/s1
| Molecular Formula | C29H27ClFN5O5S |
| Molecular Weight | 612.072 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:06:33 GMT 2023
by
admin
on
Sat Dec 16 16:06:33 GMT 2023
|
| Record UNII |
95X5AX3CUW
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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95X5AX3CUW
Created by
admin on Sat Dec 16 16:06:34 GMT 2023 , Edited by admin on Sat Dec 16 16:06:34 GMT 2023
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154572879
Created by
admin on Sat Dec 16 16:06:34 GMT 2023 , Edited by admin on Sat Dec 16 16:06:34 GMT 2023
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1636145-45-3
Created by
admin on Sat Dec 16 16:06:34 GMT 2023 , Edited by admin on Sat Dec 16 16:06:34 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
URINE
|
