Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H19N3O4S.C6H14N2O2 |
| Molecular Weight | 495.592 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NCCCC[C@H](N)C(O)=O.[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CCC=CC3)C(O)=O
InChI
InChIKey=NTKRAGMAXIPNKX-SSDGIDNNSA-N
InChI=1S/C16H19N3O4S.C6H14N2O2/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;7-4-2-1-3-5(8)6(9)10/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23);5H,1-4,7-8H2,(H,9,10)/t10-,11-,15-;5-/m10/s1
| Molecular Formula | C6H14N2O2 |
| Molecular Weight | 146.1876 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C16H19N3O4S |
| Molecular Weight | 349.405 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:24:29 UTC 2023
by
admin
on
Fri Dec 15 15:24:29 UTC 2023
|
| Record UNII |
41BJN3H129
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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68641-66-7
Created by
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71587237
Created by
admin on Fri Dec 15 15:24:29 UTC 2023 , Edited by admin on Fri Dec 15 15:24:29 UTC 2023
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41BJN3H129
Created by
admin on Fri Dec 15 15:24:29 UTC 2023 , Edited by admin on Fri Dec 15 15:24:29 UTC 2023
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DTXSID90218733
Created by
admin on Fri Dec 15 15:24:29 UTC 2023 , Edited by admin on Fri Dec 15 15:24:29 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |