Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C23H16O6.2C16H19N3O5S |
Molecular Weight | 1119.178 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(O)C=C3)C(O)=O.[H][C@]45SC(C)(C)[C@@H](N4C(=O)[C@H]5NC(=O)[C@H](N)C6=CC=C(O)C=C6)C(O)=O.OC(=O)C7=C(O)C(CC8=C9C=CC=CC9=CC(C(O)=O)=C8O)=C%10C=CC=CC%10=C7
InChI
InChIKey=WXXKGMSZYRAJSK-XSULHWGKSA-N
InChI=1S/C23H16O6.2C16H19N3O5S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t;2*9-,10-,11+,14-/m.11/s1
Molecular Formula | C23H16O6 |
Molecular Weight | 388.3695 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C16H19N3O5S |
Molecular Weight | 365.404 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:32:49 GMT 2023
by
admin
on
Sat Dec 16 09:32:49 GMT 2023
|
Record UNII |
3V3X0IX41I
|
Record Status |
Validated (UNII)
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Record Version |
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-
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119229-00-4
Created by
admin on Sat Dec 16 09:32:49 GMT 2023 , Edited by admin on Sat Dec 16 09:32:49 GMT 2023
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PRIMARY | |||
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91617951
Created by
admin on Sat Dec 16 09:32:49 GMT 2023 , Edited by admin on Sat Dec 16 09:32:49 GMT 2023
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PRIMARY | |||
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3V3X0IX41I
Created by
admin on Sat Dec 16 09:32:49 GMT 2023 , Edited by admin on Sat Dec 16 09:32:49 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |