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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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