LY307452   Click here for help

GtoPdb Ligand ID: 3350

Synonyms: LY 307452 | LY-307,452 | LY-307452
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 100.62
Molecular weight 355.18
XLogP 1.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(C(=O)O)CC(C(=O)O)CCCC(c1ccccc1)c1ccccc1
Isomeric SMILES N[C@H](C(=O)O)C[C@@H](C(=O)O)CCCC(c1ccccc1)c1ccccc1
InChI InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)/t17-,19-/m0/s1
InChI Key DWLOVDOPFJPWNE-HKUYNNGSSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S,4S)-2-amino-4-(4,4-diphenylbutyl)pentanedioic acid
Synonyms Click here for help
LY 307452 | LY-307,452 | LY-307452
Database Links Click here for help
ChEMBL Ligand CHEMBL39338
GtoPdb PubChem SID 178100380
PubChem CID 6324634
Search Google for chemical match using the InChIKey DWLOVDOPFJPWNE-HKUYNNGSSA-N
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Search UniChem for chemical match using the InChIKey DWLOVDOPFJPWNE-HKUYNNGSSA-N
Search UniChem for chemicals with the same backbone DWLOVDOPFJPWNE
Wikipedia LY-307,452