Basic information
- CAS
83578-20-5- Standard SMILES
CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCSSc1ccccn1- InChIKey
GRJDVQGHTMXGPB-INIZCTEOSA-N- Molecular formula
- C18H21N3O2S2
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.10751927
Overview
kinetic specificity probe for cysteine proteinases; structure given in first source
Names & identifiers
- Preferred name
- 2-(N'-acetylphenylalanylamino)ethyl-2'-pyridyl disulfide
- IUPAC
- (2S)-2-acetamido-3-phenyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]propanamide
- English name
- 2-(N'-acetylphenylalanylamino)ethyl-2'-pyridyl disulfide
- Molecular weight
- 0
Names & synonyms
2-Apaeps83578-20-52-(N'-Acetylphenylalanylamino)ethyl-2'-pyridyl disulfideRefChem:84794DTXSID301003579Nalpha-Acetyl-N-[2-(2-pyridinyldisulfanyl)ethyl]-L-phenylalaninamideBenzenepropanamide, alpha-(acetylamino)-N-(2-(2-pyridinyldithio)ethyl)-, (S)-(2S)-2-[(1-Hydroxyethylidene)amino]-3-phenyl-N-{2-[(pyridin-2-yl)disulfanyl]ethyl}propanimidic acid2-[(1-Hydroxyethylidene)amino]-3-phenyl-N-{2-[(pyridin-2-yl)disulfanyl]ethyl}propanimidic acid
Database identifiers
- CAS
83578-20-5- PubChem CID
- 134305
- DTXSID
DTXSID301003579
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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