Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C38H42N4O12 |
| Molecular Weight | 746.7597 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12OC3=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=CC5=C3[C@@]16CCN(CC7CC7)[C@H](C5)[C@]6(O)CC(C(=O)NC(C)(C)C8=NC(=NO8)C9=CC=CC=C9)=C2O
InChI
InChIKey=UVPKFLSQBPCNFH-DREJXGHISA-N
InChI=1S/C38H42N4O12/c1-36(2,35-39-31(41-54-35)18-6-4-3-5-7-18)40-32(47)20-15-38(50)22-14-19-10-11-21(51-34-27(46)25(44)26(45)29(53-34)33(48)49)28-23(19)37(38,30(52-28)24(20)43)12-13-42(22)16-17-8-9-17/h3-7,10-11,17,22,25-27,29-30,34,43-46,50H,8-9,12-16H2,1-2H3,(H,40,47)(H,48,49)/t22-,25+,26+,27-,29+,30+,34-,37+,38-/m1/s1
| Molecular Formula | C38H42N4O12 |
| Molecular Weight | 746.7597 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sun Dec 18 13:23:44 UTC 2022
by
admin
on
Sun Dec 18 13:23:44 UTC 2022
|
| Record UNII |
CSJ43DHV6P
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Code | English | ||
|
Code | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
CSJ43DHV6P
Created by
admin on Sun Dec 18 13:23:45 UTC 2022 , Edited by admin on Sun Dec 18 13:23:45 UTC 2022
|
PRIMARY | |||
|
155804807
Created by
admin on Sun Dec 18 13:23:45 UTC 2022 , Edited by admin on Sun Dec 18 13:23:45 UTC 2022
|
PRIMARY | PUBCHEM |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
ANTAGONIST
Kb
|
||
|
TARGET -> INHIBITOR |
BINDING
Ki
|
||
|
TARGET -> INHIBITOR |
BINDING
Ki
|
||
|
TARGET -> INHIBITOR |
ANTAGONIST
Kb
|
||
|
TARGET -> INHIBITOR |
BINDING
Ki
|
||
|
TARGET -> INHIBITOR |
ANTAGONIST
Kb
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE INACTIVE |
