Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H]1C[C@@H](Cc2ccccc2C#N)C(=O)O1- InChIKey
WDKQPIQSXXOAHV-FSSWDIPSSA-N- Molecular formula
- C25H28N2O4
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.20490738
Names & identifiers
- Preferred name
- 5(S)-[1(S)-(Boc-amino)-2-phenylethyl]-3(R)-(o-cyanophenylmethyl)-dihydrofuran-2-(3H)-one
- IUPAC
- tert-butyl N-[(1S)-1-[(2S,4R)-4-[(2-cyanophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate
Names & synonyms
SCHEMBL8893455WDKQPIQSXXOAHV-FSSWDIPSSA-N5(S)-[1(S)-(Boc-amino)-2-phenylethyl]-3(R)-(o-cyanophenylmethyl)-dihydrofuran-2-(3H)-one
Database identifiers
- PubChem CID
- 67718818
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 671
Related reactions
1 records
Compound notes
Loading…