Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C56H69N13O16.Th |
| Molecular Weight | 1407.2523 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[227Th+4].CN1C=CC(C(=O)NCCN(CCNC(=O)C2=C([O-])C(=O)N(C)C=C2)CC(CN(CCNC(=O)C3=C([O-])C(=O)N(C)C=C3)CCNC(=O)C4=C([O-])C(=O)N(C)C=C4)CC5=CC=C(NC(=O)CCC(=O)NCCCC[C@H](N)C(O)=O)C=C5)=C([O-])C1=O
InChI
InChIKey=WUKAKEYSTRXASX-ZGLIGQMGSA-J
InChI=1S/C56H73N13O16.Th/c1-64-23-14-37(44(72)52(64)80)48(76)59-19-27-68(28-20-60-49(77)38-15-24-65(2)53(81)45(38)73)32-35(31-34-8-10-36(11-9-34)63-43(71)13-12-42(70)58-18-6-5-7-41(57)56(84)85)33-69(29-21-61-50(78)39-16-25-66(3)54(82)46(39)74)30-22-62-51(79)40-17-26-67(4)55(83)47(40)75;/h8-11,14-17,23-26,35,41,72-75H,5-7,12-13,18-22,27-33,57H2,1-4H3,(H,58,70)(H,59,76)(H,60,77)(H,61,78)(H,62,79)(H,63,71)(H,84,85);/q;+4/p-4/t41-;/m0./s1/i;1-5
| Molecular Formula | Th |
| Molecular Weight | 227.0277 |
| Charge | 4 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C56H69N13O16 |
| Molecular Weight | 1180.2246 |
| Charge | -4 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 2 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:10:02 GMT 2023
by
admin
on
Sat Dec 16 15:10:02 GMT 2023
|
| Record UNII |
PI90EP52XN
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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PI90EP52XN
Created by
admin on Sat Dec 16 15:10:02 GMT 2023 , Edited by admin on Sat Dec 16 15:10:02 GMT 2023
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PRIMARY | |||
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139593407
Created by
admin on Sat Dec 16 15:10:02 GMT 2023 , Edited by admin on Sat Dec 16 15:10:02 GMT 2023
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PRIMARY |
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