Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C77H107N18O18.Ga |
| Molecular Weight | 1642.5093 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ga+3].CC(C)CC(CC(C)C)NC(=O)[C@H](CC1=CNC=N1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)COCC(=O)NC5=CC=C(CNC(=O)CN6CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC6)C=C5)C(C)C
InChI
InChIKey=UWISIFIKEPIDCZ-VZJFFOHOSA-K
InChI=1S/C77H110N18O18.Ga/c1-47(2)31-55(32-48(3)4)86-75(110)62(35-56-38-79-46-83-56)87-64(97)39-82-77(112)71(49(5)6)91-72(107)50(7)84-74(109)61(34-53-37-80-58-16-12-11-15-57(53)58)90-73(108)59(21-22-63(78)96)89-76(111)60(33-51-13-9-8-10-14-51)88-67(100)45-113-44-66(99)85-54-19-17-52(18-20-54)36-81-65(98)40-92-23-25-93(41-68(101)102)27-29-95(43-70(105)106)30-28-94(26-24-92)42-69(103)104;/h8-20,37-38,46-50,55,59-62,71,80H,21-36,39-45H2,1-7H3,(H2,78,96)(H,79,83)(H,81,98)(H,82,112)(H,84,109)(H,85,99)(H,86,110)(H,87,97)(H,88,100)(H,89,111)(H,90,108)(H,91,107)(H,101,102)(H,103,104)(H,105,106);/q;+3/p-3/t50-,59-,60+,61-,62-,71-;/m0./s1
| Molecular Formula | C77H107N18O18 |
| Molecular Weight | 1572.7863 |
| Charge | -3 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Ga |
| Molecular Weight | 69.7231 |
| Charge | 3 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 22:03:11 GMT 2025
by
admin
on
Tue Apr 01 22:03:11 GMT 2025
|
| Record UNII |
CT627LWC6J
|
| Record Status |
FAILED
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| Record Version |
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-
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1589488-43-6
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300000008828
Created by
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CT627LWC6J
Created by
admin on Tue Apr 01 22:03:11 GMT 2025 , Edited by admin on Tue Apr 01 22:03:11 GMT 2025
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