Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C55H67ClN10O10 |
| Molecular Weight | 1063.634 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCNC(NCC)=NCCCC[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC2=CN=CC=C2)NC(=O)[C@@H](CC3=CC=C(Cl)C=C3)NC(=O)[C@@H](CC4=CC5=CC=CC=C5C=C4)NC(C)=O)C(O)=O
InChI
InChIKey=WNKISAUPMCLQAQ-WXWGUTDSSA-N
InChI=1S/C55H67ClN10O10/c1-4-58-55(59-5-2)60-26-9-8-14-43(54(75)76)62-50(71)45(29-36-18-23-42(69)24-19-36)65-53(74)48(33-67)66-52(73)47(31-38-11-10-25-57-32-38)64-51(72)46(28-35-16-21-41(56)22-17-35)63-49(70)44(61-34(3)68)30-37-15-20-39-12-6-7-13-40(39)27-37/h6-7,10-13,15-25,27,32,43-48,67,69H,4-5,8-9,14,26,28-31,33H2,1-3H3,(H,61,68)(H,62,71)(H,63,70)(H,64,72)(H,65,74)(H,66,73)(H,75,76)(H2,58,59,60)/t43-,44-,45+,46-,47-,48+/m1/s1
| Molecular Formula | C55H67ClN10O10 |
| Molecular Weight | 1063.634 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:45:01 GMT 2023
by
admin
on
Sat Dec 16 08:45:01 GMT 2023
|
| Record UNII |
18II857YI9
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
91800030
Created by
admin on Sat Dec 16 08:45:01 GMT 2023 , Edited by admin on Sat Dec 16 08:45:01 GMT 2023
|
PRIMARY | |||
|
18II857YI9
Created by
admin on Sat Dec 16 08:45:01 GMT 2023 , Edited by admin on Sat Dec 16 08:45:01 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MAJOR
FECAL
|
