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
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 15:35:41 GMT 2023 , Edited by admin on Fri Dec 15 15:35:41 GMT 2023
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C80090
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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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1098050
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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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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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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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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 |
ACTIVE MOIETY
SUBSTANCE RECORD