Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H29N3O6S.C8H10BrNO3S |
| Molecular Weight | 743.686 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(O)=O.CC(C)(C)C(=O)OCOC(=O)[C@@H]3N4[C@H](SC3(C)C)[C@H](NC(=O)C(N)C5=CC=CC=C5)C4=O
InChI
InChIKey=NSZOIZOWOWUYKG-GFZUYOJISA-N
InChI=1S/C22H29N3O6S.C8H10BrNO3S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12;1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26);3-4,6H,1-2H3,(H,12,13)/t13?,14-,15+,18-;3-,4+,6-/m11/s1
| Molecular Formula | C8H10BrNO3S |
| Molecular Weight | 280.139 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C22H29N3O6S |
| Molecular Weight | 463.547 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:58:12 GMT 2025
by
admin
on
Mon Mar 31 21:58:12 GMT 2025
|
| Record UNII |
639G8D3FTU
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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639G8D3FTU
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77442-45-6
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196035
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admin on Mon Mar 31 21:58:12 GMT 2025 , Edited by admin on Mon Mar 31 21:58:12 GMT 2025
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DTXSID80998653
Created by
admin on Mon Mar 31 21:58:12 GMT 2025 , Edited by admin on Mon Mar 31 21:58:12 GMT 2025
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| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
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