Basic information
- Standard SMILES
CCOC(=O)N[C@H](Cc1ccc(OC)cc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(N)nccc2c1- InChIKey
CATCEAMVLJKHPY-RPWUZVMVSA-N- Molecular formula
- C28H33N5O5
- Average molar mass
- 519.6 g/mol
Names & identifiers
- Preferred name
- (2-{2-(S)-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidin 1-yl}-1-(R)-(4-methoxybenzyl)-2-oxo-ethyl)-carbamic acid ethyl ester
- IUPAC
- ethyl N-[(2R)-1-[(2S)-2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
Names & synonyms
SCHEMBL6437218CATCEAMVLJKHPY-RPWUZVMVSA-N(2-{2-(S )-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidine 1-yl}-1-(R)-(4-methoxybenzyl)-2-oxo-ethyl)-carbamic acid ethyl ester(2-{2-(S)-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidin 1-yl}-1-(R)-(4-methoxybenzyl)-2-oxo-ethyl)-carbamic acid ethyl ester(2-{2-(S)-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-1-(R)-(4-methoxybenzyl)-2-oxo-ethyl)-carbamic acid ethyl ester
Database identifiers
- PubChem CID
- 69780696
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 805
Related reactions
4 records
Compound notes
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