Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C16H17N3O5S.H2O |
Molecular Weight | 744.792 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(O)C=C3)C(O)=O.[H][C@]45SCC(C)=C(N4C(=O)[C@H]5NC(=O)[C@H](N)C6=CC=C(O)C=C6)C(O)=O
InChI
InChIKey=AJAMDISMDZXITN-QXBGZBSVSA-N
InChI=1S/2C16H17N3O5S.H2O/c2*1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8;/h2*2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24);1H2/t2*10-,11-,15-;/m11./s1
Molecular Formula | C16H17N3O5S |
Molecular Weight | 363.388 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:53:56 UTC 2023
by
admin
on
Fri Dec 15 15:53:56 UTC 2023
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Record UNII |
J9CMF6461M
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Record Status |
Validated (UNII)
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Record Version |
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-
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Common Name | English | ||
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Systematic Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C357
Created by
admin on Fri Dec 15 15:53:56 UTC 2023 , Edited by admin on Fri Dec 15 15:53:56 UTC 2023
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DTXSID30152622
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C47965
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119922-85-9
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J9CMF6461M
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J9CMF6461M
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1297878
Created by
admin on Fri Dec 15 15:53:56 UTC 2023 , Edited by admin on Fri Dec 15 15:53:56 UTC 2023
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67173987
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CHEMBL1644
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DBSALT001743
Created by
admin on Fri Dec 15 15:53:56 UTC 2023 , Edited by admin on Fri Dec 15 15:53:56 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |