Lys006
(3S)-3-amino-4-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid
Molecular Identity
Lys006
(3S)-3-amino-4-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid
PubChem CID: 118166560
2D Structure
Properties
C16H14ClFN6O3
Molecular Formula
392.77
Molecular Weight
g/mol
392.0800
Exact Mass
Da
-0.4
XLogP
Drug-like (Lipinski: < 5)
129
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
499
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1C2=NN(N=N2)CC(CC(=O)O)N)OC3=C(C=C(C=N3)Cl)FIsomeric SMILES
SMILES: C1=CC(=CC=C1C2=NN(N=N2)C[C@H](CC(=O)O)N)OC3=C(C=C(C=N3)Cl)FSynonyms(20)
1799681-85-8LYS-006LYS006(3S)-3-amino-4-[5-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenyl]tetrazol-2-yl]butanoic acid59CF90960T2H-TETRAZOLE-2-BUTANOIC ACID, .BETA.-AMINO-5-(4-((5-CHLORO-3-FLUORO-2-PYRIDINYL)OXY)PHENYL)-, (.BETA.S)-2H-Tetrazole-2-butanoic acid, beta-amino-5-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenyl)-, (betaS)-(3S)-3-amino-4-(5-(4-(5-chloro-3-fluoropyridin-2-yl)oxyphenyl)tetrazol-2-yl)butanoic acidRefChem:154743LTA4H-IN-1(S)-3-amino-4-(5-(4-((5-chloro-3-fluoropyridin-2-yl)oxy)phenyl)-2H-tetrazol-2-yl)butanoic acidCHEMBL4852381SCHEMBL16827313betaS-amino-5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-2H-tetrazole-2-butanoic acidHY-137298
Data from PubChem (NCBI)
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Drug Network
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