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

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-(3-cyanophenyl)-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-(3-cyanophenyl)-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-5-(3-cyanophenyl)-3-mercaptopentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-(3-cyanophenyl)-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-5-(3-cyanophenyl)-3-mercapto-valeric acid Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c19-10-13-3-1-2-12(8-13)4-6-16(24)15(18(22)23)9-14-5-7-17(20)21-11-14/h1-3,5,7-8,11,15-16,24H,4,6,9H2,(H2,20,21)(H,22,23)