Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H21N6O5S.Na |
Molecular Weight | 456.451 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)NC(N)=N)C3=CC=CC=C3)C([O-])=O
InChI
InChIKey=MSWIMMZSNIYLNP-YWUHCJSESA-M
InChI=1S/C18H22N6O5S.Na/c1-18(2)11(15(27)28)24-13(26)10(14(24)30-18)21-12(25)9(8-6-4-3-5-7-8)22-17(29)23-16(19)20;/h3-7,9-11,14H,1-2H3,(H,21,25)(H,27,28)(H5,19,20,22,23,29);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1
Molecular Formula | C18H21N6O5S |
Molecular Weight | 433.462 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:11:02 GMT 2023
by
admin
on
Fri Dec 15 15:11:02 GMT 2023
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Record UNII |
OUD9J7N2J2
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Record Status |
Validated (UNII)
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Record Version |
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-
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OUD9J7N2J2
Created by
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154572815
Created by
admin on Fri Dec 15 15:11:02 GMT 2023 , Edited by admin on Fri Dec 15 15:11:02 GMT 2023
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37762-64-4
Created by
admin on Fri Dec 15 15:11:02 GMT 2023 , Edited by admin on Fri Dec 15 15:11:02 GMT 2023
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
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