Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H21N8O6S4.H |
Molecular Weight | 622.72 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H][C@]1(NC(C([O-])=O)=C(CS1)SC2=NC(=CS2)C3=CC=[N+](C)C=C3)[C@H](NC(=O)C(=N/OCC)\C4=NSC(N)=N4)C([O-])=O
InChI
InChIKey=YXIOPLJUAOXODC-BRZRCAQJSA-N
InChI=1S/C22H22N8O6S4/c1-3-36-28-14(16-27-21(23)40-29-16)17(31)25-15(20(34)35)18-26-13(19(32)33)12(9-37-18)39-22-24-11(8-38-22)10-4-6-30(2)7-5-10/h4-8,15,18,26H,3,9H2,1-2H3,(H4-,23,25,27,29,31,32,33,34,35)/b28-14-/t15-,18+/m0/s1
Approval Year
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Code System | Code | Type | Description | ||
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131871813
Created by
admin on Sat Dec 16 08:48:45 GMT 2023 , Edited by admin on Sat Dec 16 08:48:45 GMT 2023
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PRIMARY | |||
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1286218-70-9
Created by
admin on Sat Dec 16 08:48:45 GMT 2023 , Edited by admin on Sat Dec 16 08:48:45 GMT 2023
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PRIMARY | |||
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H1L2DSY2CM
Created by
admin on Sat Dec 16 08:48:45 GMT 2023 , Edited by admin on Sat Dec 16 08:48:45 GMT 2023
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PRIMARY |
PARENT (METABOLITE INACTIVE)
SUBSTANCE RECORD