Ala(1-naph)-Pro-CN   Click here for help

GtoPdb Ligand ID: 8607

Compound class: Synthetic organic
Comment: Ala(1-naph)-Pro-CN is reported to inhibit the putative hydrolase RBBP9 and dipeptidyl-peptidase 4 (DPP4) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 70.12
Molecular weight 293.15
XLogP 2.09
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#CC1CCCN1C(=O)C(Cc1cccc2c1cccc2)N
Isomeric SMILES N#C[C@@H]1CCCN1C(=O)[C@H](Cc1cccc2c1cccc2)N
InChI InChI=1S/C18H19N3O/c19-12-15-8-4-10-21(15)18(22)17(20)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15,17H,4,8,10-11,20H2/t15-,17-/m0/s1
InChI Key ZVRWNKCHASBEDZ-RDJZCZTQSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-1-[(2S)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carbonitrile
Database Links Click here for help
GtoPdb PubChem SID 252166808
PubChem CID 74765859
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