Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C25H22N5O6S.Na |
Molecular Weight | 543.527 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)C3=CN=C4C=CC=NC4=C3O)C5=CC=CC=C5)C([O-])=O
InChI
InChIKey=DIGBQDMXLUJMHN-FSWJYKAZSA-M
InChI=1S/C25H23N5O6S.Na/c1-25(2)19(24(35)36)30-22(34)17(23(30)37-25)29-21(33)15(12-7-4-3-5-8-12)28-20(32)13-11-27-14-9-6-10-26-16(14)18(13)31;/h3-11,15,17,19,23H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,35,36);/q;+1/p-1/t15-,17-,19+,23-;/m1./s1
Approval Year
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C1500
Created by
admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
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Code System | Code | Type | Description | ||
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58795-03-2
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C76218
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100000085185
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CHEMBL3306902
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DTXSID00974318
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51697
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3XQ12NYC0Q
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admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
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m1980
Created by
admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
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PRIMARY | Merck Index | ||
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261-446-1
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admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
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23663957
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SUB00556MIG
Created by
admin on Fri Dec 15 15:12:08 UTC 2023 , Edited by admin on Fri Dec 15 15:12:08 UTC 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD