Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C36H61N13O12.3ClH |
| Molecular Weight | 977.332 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 13 / 13 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.Cl.Cl.[H][C@@]1(O)CO[C@@]([H])(O[C@@H]2CO[C@H](NC(=O)N[C@@H]3[C@@H](C)O[C@H](OC4=CC=C(\C=C\C(=O)NCCCNCCCCN)C=C4)[C@H](NC(N)=N)[C@H]3O)[C@H](NC(N)=O)[C@H]2O)[C@H](NC(N)=O)[C@@]1([H])N
InChI
InChIKey=KWJRLHAREAYWCY-CNCNGCFYSA-N
InChI=1S/C36H61N13O12.3ClH/c1-17-24(48-36(56)49-30-26(47-35(42)55)28(52)21(16-57-30)61-31-25(46-34(41)54)23(38)20(50)15-58-31)29(53)27(45-33(39)40)32(59-17)60-19-8-5-18(6-9-19)7-10-22(51)44-14-4-13-43-12-3-2-11-37;;;/h5-10,17,20-21,23-32,43,50,52-53H,2-4,11-16,37-38H2,1H3,(H,44,51)(H4,39,40,45)(H3,41,46,54)(H3,42,47,55)(H2,48,49,56);3*1H/b10-7+;;;/t17-,20-,21-,23+,24-,25-,26-,27-,28+,29+,30+,31+,32-;;;/m1.../s1
| Molecular Formula | C36H61N13O12 |
| Molecular Weight | 867.9494 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 13 / 13 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| 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
Fri Dec 15 16:54:44 GMT 2023
by
admin
on
Fri Dec 15 16:54:44 GMT 2023
|
| Record UNII |
D5E503144D
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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76969126
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C90678
Created by
admin on Fri Dec 15 16:54:44 GMT 2023 , Edited by admin on Fri Dec 15 16:54:44 GMT 2023
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D5E503144D
Created by
admin on Fri Dec 15 16:54:44 GMT 2023 , Edited by admin on Fri Dec 15 16:54:44 GMT 2023
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PRIMARY |