Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C16H17N2O4S.Ca |
| Molecular Weight | 706.842 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C([O-])=O.[H][C@]45SC(C)(C)[C@@H](N4C(=O)[C@H]5NC(=O)CC6=CC=CC=C6)C([O-])=O
InChI
InChIKey=PEWXRXAGXPYMIB-ANPZCEIESA-L
InChI=1S/2C16H18N2O4S.Ca/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;;+2/p-2/t2*11-,12+,14-;/m11./s1
Approval Year
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| Code System | Code | Type | Description | ||
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Z1GL5S1Z1Z
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
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20055520
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
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DBSALT002767
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
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SUB13035MIG
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
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100000077183
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
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m384
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
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PRIMARY | Merck Index | ||
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973-53-5
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
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CHEMBL29
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD