Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H43N13O10.C9H17NO5.H2O4S |
| Molecular Weight | 1003.003 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O.[H][C@@]1(C[C@H](O)NC(N)=N1)[C@]2([H])NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CNC2=O)NC(=O)C[C@@H](N)CCCN)=C\NC(N)=O
InChI
InChIKey=VQGRPWQSNMEBHD-YQQOEYNUSA-N
InChI=1S/C25H43N13O10.C9H17NO5.H2O4S/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43;1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;1-5(2,3)4/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48);7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);(H2,1,2,3,4)/b13-7-;;/t10-,11+,12-,14-,15-,17-,18-;7-;/m00./s1
| Molecular Formula | C9H17NO5 |
| Molecular Weight | 219.235 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H2O4S |
| Molecular Weight | 98.078 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C25H43N13O10 |
| Molecular Weight | 685.69 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 2 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 00:28:42 UTC 2023
by
admin
on
Sat Dec 16 00:28:42 UTC 2023
|
| Record UNII |
0JTB9X596D
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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20055266
Created by
admin on Sat Dec 16 00:28:42 UTC 2023 , Edited by admin on Sat Dec 16 00:28:42 UTC 2023
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PRIMARY | |||
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1401-79-2
Created by
admin on Sat Dec 16 00:28:42 UTC 2023 , Edited by admin on Sat Dec 16 00:28:42 UTC 2023
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PRIMARY | |||
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m11467
Created by
admin on Sat Dec 16 00:28:42 UTC 2023 , Edited by admin on Sat Dec 16 00:28:42 UTC 2023
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PRIMARY | Merck Index | ||
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0JTB9X596D
Created by
admin on Sat Dec 16 00:28:42 UTC 2023 , Edited by admin on Sat Dec 16 00:28:42 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |