Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H43N13O10.H2O4S |
| Molecular Weight | 783.768 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=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=AQONYROJHRNYQQ-QMAPKBLTSA-N
InChI=1S/C25H43N13O10.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;1-5(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);(H2,1,2,3,4)/b13-7-;/t10-,11+,12-,14-,15-,17-,18-;/m0./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C280
Created by
admin on Fri Dec 15 14:57:42 UTC 2023 , Edited by admin on Fri Dec 15 14:57:42 UTC 2023
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| Code System | Code | Type | Description | ||
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LKO141R05V
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39750-30-6
Created by
admin on Fri Dec 15 14:57:42 UTC 2023 , Edited by admin on Fri Dec 15 14:57:42 UTC 2023
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m11467
Created by
admin on Fri Dec 15 14:57:42 UTC 2023 , Edited by admin on Fri Dec 15 14:57:42 UTC 2023
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PRIMARY | Merck Index | ||
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SUB05106MIG
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CHEMBL1201221
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DBSALT000952
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100000087901
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5282488
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37883-00-4
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admin on Fri Dec 15 14:57:42 UTC 2023 , Edited by admin on Fri Dec 15 14:57:42 UTC 2023
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C66655
Created by
admin on Fri Dec 15 14:57:42 UTC 2023 , Edited by admin on Fri Dec 15 14:57:42 UTC 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD
