2-[(6-azanylpyridin-3-yl)methyl]-3-sulfanyl-5-[4-(trifluoromethyloxy)phenyl]pentanoic acid

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-3-sulfanyl-5-[4-(trifluoromethyloxy)phenyl]pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-3-sulfanyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-3-mercapto-5-[4-(trifluoromethoxy)phenyl]pentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-3-sulfanyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-3-mercapto-5-[4-(trifluoromethoxy)phenyl]valeric acid Formula: C18H19F3N2O3S MolecularWeight: 400.41527

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C(CC2=CN=C(C=C2)N)C(=O)O)S)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CCC(C(CC2=CN=C(C=C2)N)C(=O)O)S)OC(F)(F)F

InChI

InChI=1S/C18H19F3N2O3S/c19-18(20,21)26-13-5-1-11(2-6-13)3-7-15(27)14(17(24)25)9-12-4-8-16(22)23-10-12/h1-2,4-6,8,10,14-15,27H,3,7,9H2,(H2,22,23)(H,24,25)