Basic information
- CAS
120484-56-2- Standard SMILES
CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(O)CSSc1ccccn1- InChIKey
SKVXGEYZTVBVBA-INIZCTEOSA-N- Molecular formula
- C18H20N2O3S2
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.09153485
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-(N'-Acetylphenylalanyl)hydroxyethyl 2'-pyridyl disulfide
- IUPAC
- N-[(2S)-4-hydroxy-3-oxo-1-phenyl-5-(pyridin-2-yldisulfanyl)pentan-2-yl]acetamide
- English name
- 2-(N'-acetylphenylalanyl)hydroxyethyl 2'-pyridyl disulfide
- Molecular formula
- C18H20N2O3S2
- Molecular weight
- 376.49
Names & synonyms
2-Aphpd120484-56-22-(N'-Acetylphenylalanyl)hydroxyethyl 2'-pyridyl disulfideRefChem:847932-(N'-Acetylphenylalanyl)hydroxyethyl-2'-pyridyl disulfideL-Phenylalanine, N-acetyl-, 2-(2-pyridinyldithio)ethyl ester
Database identifiers
- CAS
120484-56-2- PubChem CID
- 129176
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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