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

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-(2-hydroxyphenyl)-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-(2-hydroxyphenyl)-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-5-(2-hydroxyphenyl)-3-mercaptopentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-(2-hydroxyphenyl)-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-5-(2-hydroxyphenyl)-3-mercapto-valeric acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S/c18-16-8-5-11(10-19-16)9-13(17(21)22)15(23)7-6-12-3-1-2-4-14(12)20/h1-5,8,10,13,15,20,23H,6-7,9H2,(H2,18,19)(H,21,22)