Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C18H19N3O5S.H2O |
| Molecular Weight | 796.866 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 2 |
| 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.[H][C@]45SCC(\C=C/C)=C(N4C(=O)[C@H]5NC(=O)[C@H](N)C6=CC=C(O)C=C6)C(O)=O
InChI
InChIKey=XFIMQDGBHJULGY-WFDQOPGTSA-N
InChI=1S/2C18H19N3O5S.H2O/c2*1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9;/h2*2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26);1H2/b2*3-2-;/t2*12-,13-,17-;/m11./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
Sat Dec 16 05:12:43 GMT 2023
by
admin
on
Sat Dec 16 05:12:43 GMT 2023
|
| Record UNII |
44Q8AAI7P4
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Code | English |
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76959773
Created by
admin on Sat Dec 16 05:12:43 GMT 2023 , Edited by admin on Sat Dec 16 05:12:43 GMT 2023
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PRIMARY | |||
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44Q8AAI7P4
Created by
admin on Sat Dec 16 05:12:43 GMT 2023 , Edited by admin on Sat Dec 16 05:12:43 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
