Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C13H12N3O6S.Na |
| Molecular Weight | 361.306 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC#N)C([O-])=O
InChI
InChIKey=GXCRUTWHNMMJEK-WYUVZMMLSA-M
InChI=1S/C13H13N3O6S.Na/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21;/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21);/q;+1/p-1/t9-,12-;/m1./s1
Approval Year
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NCI_THESAURUS |
C357
Created by
admin on Fri Dec 15 16:30:18 UTC 2023 , Edited by admin on Fri Dec 15 16:30:18 UTC 2023
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CHEMBL2110602
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C76592
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DBSALT002849
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245-513-2
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23239-41-0
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m1063
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SUB01094MIG
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23668837
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87TH1FJY1N
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DTXSID20945924
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100000084897
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ACTIVE MOIETY
SUBSTANCE RECORD