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

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-pyridin-3-yl-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-(3-pyridyl)-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-3-mercapto-5-(3-pyridinyl)pentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-pyridin-3-yl-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-3-mercapto-5-(3-pyridyl)valeric acid Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S/c17-15-6-4-12(10-19-15)8-13(16(20)21)14(22)5-3-11-2-1-7-18-9-11/h1-2,4,6-7,9-10,13-14,22H,3,5,8H2,(H2,17,19)(H,20,21)