Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C28H41F3N4O4.CH4O3S |
Molecular Weight | 650.75 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N2CCC(CC2)NCC3=CC(F)=C(F)C=C3F
InChI
InChIKey=AURIORGFGUWJMG-RGFBGPCLSA-N
InChI=1S/C28H41F3N4O4.CH4O3S/c1-28(2,3)25(33-26(37)20(16-35(39)17-36)12-18-6-4-5-7-18)27(38)34-10-8-21(9-11-34)32-15-19-13-23(30)24(31)14-22(19)29;1-5(2,3)4/h13-14,17-18,20-21,25,32,39H,4-12,15-16H2,1-3H3,(H,33,37);1H3,(H,2,3,4)/t20-,25-;/m1./s1
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C28H41F3N4O4 |
Molecular Weight | 554.6447 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:38:38 GMT 2023
by
admin
on
Sat Dec 16 16:38:38 GMT 2023
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Record UNII |
XS9X93T8T1
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Record Status |
Validated (UNII)
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Record Version |
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-
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1936442-71-5
Created by
admin on Sat Dec 16 16:38:38 GMT 2023 , Edited by admin on Sat Dec 16 16:38:38 GMT 2023
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XS9X93T8T1
Created by
admin on Sat Dec 16 16:38:38 GMT 2023 , Edited by admin on Sat Dec 16 16:38:38 GMT 2023
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154731642
Created by
admin on Sat Dec 16 16:38:38 GMT 2023 , Edited by admin on Sat Dec 16 16:38:38 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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