Basic information
- Standard SMILES
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(N)nccc2c1- InChIKey
ZJVNMFUPWKLVEF-PKTZIBPZSA-N- Molecular formula
- C26H29N5O3
- Average molar mass
- 459.5 g/mol
Names & identifiers
- Preferred name
- 1-(2-(R)-Acetylamino-3-phenyl-propionyl)-pyrrolidin-2-(S)-carboxylic acid (1-amino-isoquinolin-6-ylmethyl)-amide
- IUPAC
- (2S)-1-[(2R)-2-acetamido-3-phenylpropanoyl]-N-[(1-aminoisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide
Names & synonyms
ZJVNMFUPWKLVEF-PKTZIBPZSA-N1-(2-(R)-Acetylamino-3-phenyl-propionyl)-pyrrolidin-2-(S)-carboxylic acid (1-amino-isoquinolin-6-ylmethyl)-amide1-(2-(R)-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2-(S)-carboxylic acid (1-amino-isoquinolin-6-ylmethyl)-amide
Database identifiers
- PubChem CID
- 54550893
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 725
Related reactions
4 records
Compound notes
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