compound 130 [PMID: 29157600]   

GtoPdb Ligand ID: 10294

Synonyms: (5-(4-Fluorophenyl)furan-2-carbonyl)-L-aspartic acid
Compound class: Synthetic organic
Comment: Agonist for the succinate receptor.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 116.84
Molecular weight 321.06
XLogP 1.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(c1ccc(o1)c1ccc(cc1)F)NC(C(=O)O)CC(=O)O
Isomeric SMILES O=C(c1ccc(o1)c1ccc(cc1)F)N[C@H](C(=O)O)CC(=O)O
InChI InChI=1S/C15H12FNO6/c16-9-3-1-8(2-4-9)11-5-6-12(23-11)14(20)17-10(15(21)22)7-13(18)19/h1-6,10H,7H2,(H,17,20)(H,18,19)(H,21,22)/t10-/m0/s1
InChI Key DXDJHKUZMNAXTM-JTQLQIEISA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-{[5-(4-fluorophenyl)furan-2-yl]formamido}butanedioic acid
Synonyms
(5-(4-Fluorophenyl)furan-2-carbonyl)-L-aspartic acid
Database Links
GtoPdb PubChem SID 381744975
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