Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H24N5O8S2.Na |
Molecular Weight | 561.564 |
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)N3CCN(C3=O)S(C)(=O)=O)C4=CC=CC=C4)C([O-])=O
InChI
InChIKey=GTGQRSIMEUWHPA-ZBJAFUORSA-M
InChI=1S/C21H25N5O8S2.Na/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34;/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30);/q;+1/p-1/t12-,13-,14+,17-;/m1./s1
Molecular Formula | C21H24N5O8S2 |
Molecular Weight | 538.574 |
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 15:32:03 UTC 2023
by
admin
on
Fri Dec 15 15:32:03 UTC 2023
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Record UNII |
RX227TP94U
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Record Status |
Validated (UNII)
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Record Version |
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-
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CHEMBL1731
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SUB03282MIG
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42057-22-7
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RX227TP94U
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23685177
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DBSALT002350
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m7520
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82048
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100000085980
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255-640-5
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DTXSID60194898
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Related Record | Type | Details | ||
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SOLVATE->ANHYDROUS |
Related Record | Type | Details | ||
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