Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C24H26N4O6S2.2ClH |
| Molecular Weight | 603.538 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.Cl.OC(=O)C1=CC(NC(=O)[C@@H]2C[C@@H](CN2)SS[C@@H]3CN[C@@H](C3)C(=O)NC4=CC=CC(=C4)C(O)=O)=CC=C1
InChI
InChIKey=ABUMLMTUBIWAPJ-WMRUPOIPSA-N
InChI=1S/C24H26N4O6S2.2ClH/c29-21(27-15-5-1-3-13(7-15)23(31)32)19-9-17(11-25-19)35-36-18-10-20(26-12-18)22(30)28-16-6-2-4-14(8-16)24(33)34;;/h1-8,17-20,25-26H,9-12H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34);2*1H/t17-,18-,19-,20-;;/m0../s1
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C24H26N4O6S2 |
| Molecular Weight | 530.616 |
| 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
Wed Apr 02 18:23:31 GMT 2025
by
admin
on
Wed Apr 02 18:23:31 GMT 2025
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| Record UNII |
67SZV5Z64D
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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131879377
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444057-64-1
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admin on Wed Apr 02 18:23:31 GMT 2025 , Edited by admin on Wed Apr 02 18:23:31 GMT 2025
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67SZV5Z64D
Created by
admin on Wed Apr 02 18:23:31 GMT 2025 , Edited by admin on Wed Apr 02 18:23:31 GMT 2025
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DTXSID00857975
Created by
admin on Wed Apr 02 18:23:31 GMT 2025 , Edited by admin on Wed Apr 02 18:23:31 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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![Structure of 3-[[(2S,4S)-4-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]disulfanylpyrrolidine-2-carbonyl]amino]benzoic acid](/img/89df7299-4a50-4f09-a11c-b7ea66051dca.svg "Structure of 3-[[(2S,4S)-4-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]disulfanylpyrrolidine-2-carbonyl]amino]benzoic acid")