2-[(6-azanylpyridin-3-yl)methyl]-5-(3,5-dimethylphenyl)-3-sulfanyl-pentanoic acid

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-(3,5-dimethylphenyl)-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-(3,5-dimethylphenyl)-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-5-(3,5-dimethylphenyl)-3-mercaptopentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-(3,5-dimethylphenyl)-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-5-(3,5-dimethylphenyl)-3-mercapto-valeric acid Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CCC(C(CC2=CN=C(C=C2)N)C(=O)O)S)C

Isomeric SMILES

CC1=CC(=CC(=C1)CCC(C(CC2=CN=C(C=C2)N)C(=O)O)S)C

InChI

InChI=1S/C19H24N2O2S/c1-12-7-13(2)9-14(8-12)3-5-17(24)16(19(22)23)10-15-4-6-18(20)21-11-15/h4,6-9,11,16-17,24H,3,5,10H2,1-2H3,(H2,20,21)(H,22,23)