J-2156   Click here for help

GtoPdb Ligand ID: 10115

Synonyms: J 2156 | J2156
Compound class: Synthetic organic
Comment: Selective SST4 receptor agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 152.76
Molecular weight 468.18
XLogP 2.06
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCC(C(=O)NC(C(=O)N)Cc1ccccc1)NS(=O)(=O)c1ccc(c2c1cccc2)C
Isomeric SMILES NCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NS(=O)(=O)c1ccc(c2c1cccc2)C
InChI InChI=1S/C24H28N4O4S/c1-16-11-12-22(19-10-6-5-9-18(16)19)33(31,32)28-20(13-14-25)24(30)27-21(23(26)29)15-17-7-3-2-4-8-17/h2-12,20-21,28H,13-15,25H2,1H3,(H2,26,29)(H,27,30)/t20-,21-/m0/s1
InChI Key VTNCZBXJSGKDLS-SFTDATJTSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-4-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanamide
Synonyms Click here for help
J 2156 | J2156
Database Links Click here for help
CAS Registry No. 848647-56-3
GtoPdb PubChem SID 381118825
PubChem CID 11442741
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Tocris
J 2156
Cat. No. 6201