Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C19H19N5O4S2.H2O |
Molecular Weight | 463.531 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@]12SCC(\C=C/C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC4=C(C=C3)N=C(N)S4)C(O)=O
InChI
InChIKey=IOKIMKWTGZVJPY-HERYOFLYSA-N
InChI=1S/C19H19N5O4S2.H2O/c1-2-3-9-7-29-17-13(16(26)24(17)14(9)18(27)28)23-15(25)12(20)8-4-5-10-11(6-8)30-19(21)22-10;/h2-6,12-13,17H,7,20H2,1H3,(H2,21,22)(H,23,25)(H,27,28);1H2/b3-2-;/t12-,13-,17-;/m1./s1
Molecular Formula | C19H19N5O4S2 |
Molecular Weight | 445.515 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
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 05:09:15 UTC 2023
by
admin
on
Sat Dec 16 05:09:15 UTC 2023
|
Record UNII |
9F4O89Z826
|
Record Status |
Validated (UNII)
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Record Version |
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-
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131842269
Created by
admin on Sat Dec 16 05:09:15 UTC 2023 , Edited by admin on Sat Dec 16 05:09:15 UTC 2023
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PRIMARY | |||
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9F4O89Z826
Created by
admin on Sat Dec 16 05:09:15 UTC 2023 , Edited by admin on Sat Dec 16 05:09:15 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |