N-(N-benzyloxycarbonyl-L-prolyl)-2-(2-cyanoethyl)alanine methyl ester
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Basic information
- Standard SMILES
COC(=O)[C@@](C)(CCC#N)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1- InChIKey
ZCPHXHUAEOFYJU-OXJNMPFZSA-N- Molecular formula
- C20H25N3O5
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.17942091
Names & identifiers
- Preferred name
- N-(N-benzyloxycarbonyl-L-prolyl)-2-(2-cyanoethyl)alanine methyl ester
- IUPAC
- benzyl (2S)-2-[[(2R)-4-cyano-1-methoxy-2-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL10937012ZCPHXHUAEOFYJU-OXJNMPFZSA-NN-(N-benzyloxycarbonyl-L-prolyl)-2-(2-cyanoethyl)alanine methyl ester
Database identifiers
- PubChem CID
- 54540171
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 623
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Related reactions
2 records
Compound notes
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