Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C35H36ClN5O7 |
| Molecular Weight | 674.143 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)N[C@H](CC3=CC=C(Cl)C=C3)C(=O)N[C@H](CC4=CC=CN=C4)C(=O)N[C@@H](CO)C(O)=O
InChI
InChIKey=KADGKBURVQMYLB-VTMRUAGOSA-N
InChI=1S/C35H36ClN5O7/c1-21(43)38-28(17-23-8-11-25-6-2-3-7-26(25)15-23)32(44)39-29(16-22-9-12-27(36)13-10-22)33(45)40-30(18-24-5-4-14-37-19-24)34(46)41-31(20-42)35(47)48/h2-15,19,28-31,42H,16-18,20H2,1H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)(H,47,48)/t28-,29-,30-,31+/m1/s1
| Molecular Formula | C35H36ClN5O7 |
| Molecular Weight | 674.143 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:44:59 UTC 2023
by
admin
on
Sat Dec 16 08:44:59 UTC 2023
|
| Record UNII |
JI8UK4P16N
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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15429510
Created by
admin on Sat Dec 16 08:44:59 UTC 2023 , Edited by admin on Sat Dec 16 08:44:59 UTC 2023
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PRIMARY | |||
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208599-57-9
Created by
admin on Sat Dec 16 08:44:59 UTC 2023 , Edited by admin on Sat Dec 16 08:44:59 UTC 2023
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PRIMARY | |||
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JI8UK4P16N
Created by
admin on Sat Dec 16 08:44:59 UTC 2023 , Edited by admin on Sat Dec 16 08:44:59 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
MAJOR
FECAL
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