Ebopiprant
[(3S)-3-(4-fluorophenyl)-3-[[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]propyl] (2S)-2-amino-3-methylbutanoate
Molecular Identity
Ebopiprant
[(3S)-3-(4-fluorophenyl)-3-[[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]propyl] (2S)-2-amino-3-methylbutanoate
PubChem CID: 122522051
2D Structure
Properties
C30H34FN3O5S2
Molecular Formula
599.70
Molecular Weight
g/mol
599.1924
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
152
TPSA
May have limited oral absorption
2
H-Bond Donors
9
H-Bond Acceptors
956
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Ebopiprant2005486-31-5OBE022OBE-022Z1AVZ44TEJ(3S)-3-((2S)-3-((1,1'-Biphenyl)-4-sulfonyl)-1,3-thiazolidine-2-carboxamido)-3-(4-fluorophenyl)propyl L-valinateL-Valine, (3S)-3-((((2S)-3-((1,1'-biphenyl)-4-ylsulfonyl)-2-thiazolidinyl)carbonyl)amino)-3-(4-fluorophenyl)propyl esterRefChem:136181Ebopiprant [INN]UNII-Z1AVZ44TEJ[(3S)-3-(4-fluorophenyl)-3-[[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]propyl] (2S)-2-amino-3-methylbutanoateEBOPIPRANT [WHO-DD]orb1708993CHEMBL3975522SCHEMBL18055682
Data from PubChem (NCBI)
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