Details
Stereochemistry | EPIMERIC |
Molecular Formula | C22H29N4O7S.Na |
Molecular Weight | 516.543 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC(C)C[C@H](NC(=O)C1=CC2=CC=CC=C2N1)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(O)S([O-])(=O)=O
InChI
InChIKey=WEMYKLGDWNXOBX-MMUJOADSSA-M
InChI=1S/C22H30N4O7S.Na/c1-12(2)9-16(25-21(29)17-10-13-5-3-4-6-15(13)24-17)20(28)26-18(22(30)34(31,32)33)11-14-7-8-23-19(14)27;/h3-6,10,12,14,16,18,22,24,30H,7-9,11H2,1-2H3,(H,23,27)(H,25,29)(H,26,28)(H,31,32,33);/q;+1/p-1/t14-,16-,18-,22?;/m0./s1
Molecular Formula | C22H29N4O7S |
Molecular Weight | 493.553 |
Charge | -1 |
Count |
|
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 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
Sat Dec 16 19:29:07 GMT 2023
by
admin
on
Sat Dec 16 19:29:07 GMT 2023
|
Record UNII |
P6R34G4NQQ
|
Record Status |
Validated (UNII)
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Record Version |
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-
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166157330
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LM-12
Created by
admin on Sat Dec 16 19:29:08 GMT 2023 , Edited by admin on Sat Dec 16 19:29:08 GMT 2023
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2763596-72-9
Created by
admin on Sat Dec 16 19:29:08 GMT 2023 , Edited by admin on Sat Dec 16 19:29:08 GMT 2023
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P6R34G4NQQ
Created by
admin on Sat Dec 16 19:29:08 GMT 2023 , Edited by admin on Sat Dec 16 19:29:08 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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