Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C42H61N12O14.Ga |
| Molecular Weight | 1025.9337 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[68Ga+3].NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCC(N2CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C([O-])=O)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O
InChI
InChIKey=SQBMZUMBUVDIIO-KCJYAIHDSA-K
InChI=1S/C42H64N12O14.Ga/c43-42(44)46-14-6-10-27-37(63)47-23-33(56)48-30(22-34(57)58)40(66)51-29(21-26-7-2-1-3-8-26)39(65)50-28(38(64)49-27)9-4-5-13-45-32(55)12-11-31(41(67)68)54-19-17-52(24-35(59)60)15-16-53(18-20-54)25-36(61)62;/h1-3,7-8,27-31H,4-6,9-25H2,(H,45,55)(H,47,63)(H,48,56)(H,49,64)(H,50,65)(H,51,66)(H,57,58)(H,59,60)(H,61,62)(H,67,68)(H4,43,44,46);/q;+3/p-3/t27-,28-,29+,30-,31?;/m0./s1/i;1-2
| Molecular Formula | C42H61N12O14 |
| Molecular Weight | 958.0057 |
| Charge | -3 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Ga |
| Molecular Weight | 67.927983497 |
| 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 21:21:29 GMT 2025
by
admin
on
Tue Apr 01 21:21:29 GMT 2025
|
| Record UNII |
1SG7VTQ3VS
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Created by
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1SG7VTQ3VS
Created by
admin on Tue Apr 01 21:21:29 GMT 2025 , Edited by admin on Tue Apr 01 21:21:29 GMT 2025
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165411933
Created by
admin on Tue Apr 01 21:21:29 GMT 2025 , Edited by admin on Tue Apr 01 21:21:29 GMT 2025
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