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

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-phenyl-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-phenyl-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-3-mercapto-5-phenylpentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-phenyl-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-3-mercapto-5-phenyl-valeric acid Formula: C17H20N2O2S MolecularWeight: 316.4179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S/c18-16-9-7-13(11-19-16)10-14(17(20)21)15(22)8-6-12-4-2-1-3-5-12/h1-5,7,9,11,14-15,22H,6,8,10H2,(H2,18,19)(H,20,21)