Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C52H82ClN15O12.C2H4O2 |
| Molecular Weight | 1204.806 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.[H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@H](CN)NC(=O)[C@@H](NC(=O)C[C@H](CN)C3=CC(Cl)=CC=C3)[C@@H](C)O)[C@@H](C)O
InChI
InChIKey=YADKGXKKBAFXFJ-CYMYEOQJSA-N
InChI=1S/C52H82ClN15O12.C2H4O2/c1-27(2)21-38-48(76)62-34(13-17-54)44(72)61-36(15-19-56)47(75)68-42(28(3)69)51(79)59-20-16-37(46(74)60-35(14-18-55)45(73)65-39(49(77)64-38)22-30-9-6-5-7-10-30)63-50(78)40(26-58)66-52(80)43(29(4)70)67-41(71)24-32(25-57)31-11-8-12-33(53)23-31;1-2(3)4/h5-12,23,27-29,32,34-40,42-43,69-70H,13-22,24-26,54-58H2,1-4H3,(H,59,79)(H,60,74)(H,61,72)(H,62,76)(H,63,78)(H,64,77)(H,65,73)(H,66,80)(H,67,71)(H,68,75);1H3,(H,3,4)/t28-,29-,32-,34+,35+,36+,37+,38+,39-,40+,42+,43+;/m1./s1
| Molecular Formula | C2H4O2 |
| Molecular Weight | 60.052 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C52H82ClN15O12 |
| Molecular Weight | 1144.754 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 20:22:13 GMT 2023
by
admin
on
Sat Dec 16 20:22:13 GMT 2023
|
| Record UNII |
RT2W9K8WU9
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Code | English | ||
|
Systematic Name | English | ||
|
Code | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
RT2W9K8WU9
Created by
admin on Sat Dec 16 20:22:13 GMT 2023 , Edited by admin on Sat Dec 16 20:22:13 GMT 2023
|
PRIMARY | |||
|
2408422-41-1
Created by
admin on Sat Dec 16 20:22:13 GMT 2023 , Edited by admin on Sat Dec 16 20:22:13 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
|