Basic information
- Standard SMILES
COC(=O)[C@@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)[C@@H](C)O- InChIKey
ZAKGRDDDBYPNMI-JPYJTQIMSA-N- Molecular formula
- C25H28N2O5
- Average molar mass
- 436.5 g/mol
Names & identifiers
- Preferred name
- (2S,3R)-3-Hydroxy-2-[4-(4-morpholin-4-ylmethyl-phenylethynyl)-benzoylamino]-butyric acid methyl ester
- IUPAC
- methyl (2S,3R)-3-hydroxy-2-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]amino]butanoate
Names & synonyms
SCHEMBL400307ZAKGRDDDBYPNMI-JPYJTQIMSA-N(2S, 3R)-3-Hydroxy-2-[4-(4-morpholin-4-ylmethyl-phenylethynyl)-benzoylamino]-butyric acid methyl ester(2S, 3R)-3-Hydroxy-2-[4-(4-morpholin4-ylmethyl-phenylethynyl)-benzoylamino]-butyric acid methyl ester(2S,3R)-3-Hydroxy-2-[4-(4-morpholin-4-ylmethyl-phenylethynyl)-benzoylamino]-butyric acid methyl ester
Database identifiers
- PubChem CID
- 59697331
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 677
Related reactions
5 records
Compound notes
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