Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H19N3O5S.H2O |
Molecular Weight | 407.441 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@]12SCC(\C=C/C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(O)C=C3)C(O)=O
InChI
InChIKey=ALYUMNAHLSSTOU-HERYOFLYSA-N
InChI=1S/C18H19N3O5S.H2O/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9;/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26);1H2/b3-2-;/t12-,13-,17-;/m1./s1
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 |
Molecular Formula | C18H19N3O5S |
Molecular Weight | 389.426 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:35:41 GMT 2023
by
admin
on
Fri Dec 15 15:35:41 GMT 2023
|
Record UNII |
358K60B00H
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C357
Created by
admin on Fri Dec 15 15:35:41 GMT 2023 , Edited by admin on Fri Dec 15 15:35:41 GMT 2023
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Code System | Code | Type | Description | ||
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C80090
Created by
admin on Fri Dec 15 15:35:41 GMT 2023 , Edited by admin on Fri Dec 15 15:35:41 GMT 2023
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PRIMARY | |||
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1098050
Created by
admin on Fri Dec 15 15:35:41 GMT 2023 , Edited by admin on Fri Dec 15 15:35:41 GMT 2023
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PRIMARY | |||
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9887643
Created by
admin on Fri Dec 15 15:35:41 GMT 2023 , Edited by admin on Fri Dec 15 15:35:41 GMT 2023
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PRIMARY | |||
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358K60B00H
Created by
admin on Fri Dec 15 15:35:41 GMT 2023 , Edited by admin on Fri Dec 15 15:35:41 GMT 2023
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PRIMARY | |||
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114876-72-1
Created by
admin on Fri Dec 15 15:35:41 GMT 2023 , Edited by admin on Fri Dec 15 15:35:41 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ANHYDROUS->SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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