Basic information
- Standard SMILES
COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(N)nccc2c1)C1CCCCC1- InChIKey
BIXZAEXNDGCIEU-LEWJYISDSA-N- Molecular formula
- C25H33N5O4
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 467.25325455
Names & identifiers
- Preferred name
- (2-{2-(S)-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-2-oxo-1-(R)-cyclohexyl-ethyl)-carbamic acid methyl ester
- IUPAC
- methyl N-[(1R)-2-[(2S)-2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate
Names & synonyms
SCHEMBL6435885BIXZAEXNDGCIEU-LEWJYISDSA-N(2-{2-(S)-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-2-oxo-1-(R)-cyclohexyl-ethyl)-carbamic acid methyl ester(2-{2-(S)-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidine-1-yl}-2-oxo-1-(R)-cyclohexyl-ethyl)-carbamic acid methyl ester
Database identifiers
- PubChem CID
- 53684487
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 728
Related reactions
4 records
Compound notes
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