Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H16N5O7S2.Na |
| Molecular Weight | 477.447 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C3=CSC(N)=N3)C([O-])=O
InChI
InChIKey=AZZMGZXNTDTSME-JUZDKLSSSA-M
InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;/t10-,14-;/m1./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C357
Created by
admin on Fri Dec 15 15:23:55 UTC 2023 , Edited by admin on Fri Dec 15 15:23:55 UTC 2023
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m3204
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203117
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3498
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CHEMBL1730
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1097909
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C2328
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100000092174
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264-915-9
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ACTIVE MOIETY
SUBSTANCE RECORD