Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C16H19N3O4S.H2O4S |
Molecular Weight | 796.888 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(O)=O.[H][C@]45SC(C)(C)[C@@H](N4C(=O)[C@H]5NC(=O)[C@H](N)C6=CC=CC=C6)C(O)=O
InChI
InChIKey=QYETVTFBDRINOR-PHGYPNQBSA-N
InChI=1S/2C16H19N3O4S.H2O4S/c2*1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;1-5(2,3)4/h2*3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);(H2,1,2,3,4)/t2*9-,10-,11+,14-;/m11./s1
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C16H19N3O4S |
Molecular Weight | 349.405 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 05:44:08 UTC 2023
by
admin
on
Sat Dec 16 05:44:08 UTC 2023
|
Record UNII |
SXU8YTQ4S4
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Code System | Code | Type | Description | ||
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SXU8YTQ4S4
Created by
admin on Sat Dec 16 05:44:08 UTC 2023 , Edited by admin on Sat Dec 16 05:44:08 UTC 2023
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PRIMARY | |||
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7490-86-0
Created by
admin on Sat Dec 16 05:44:08 UTC 2023 , Edited by admin on Sat Dec 16 05:44:08 UTC 2023
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PRIMARY | |||
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52732-58-8
Created by
admin on Sat Dec 16 05:44:08 UTC 2023 , Edited by admin on Sat Dec 16 05:44:08 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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71587057
Created by
admin on Sat Dec 16 05:44:08 UTC 2023 , Edited by admin on Sat Dec 16 05:44:08 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |