1-(2-(R)-Acetylamino-3-phenyl-propionyl)-pyrrolidin-2-(S)-carboxylic acid (1-amino-isoquinolin-6-ylmethyl)-amide

HCID 54550893

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

Related reactions

4 records

Compound notes

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