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

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-(3-chlorophenyl)-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-(3-chlorophenyl)-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-5-(3-chlorophenyl)-3-mercaptopentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-(3-chlorophenyl)-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-5-(3-chlorophenyl)-3-mercapto-valeric acid Formula: C17H19ClN2O2S MolecularWeight: 350.86296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O2S/c18-13-3-1-2-11(8-13)4-6-15(23)14(17(21)22)9-12-5-7-16(19)20-10-12/h1-3,5,7-8,10,14-15,23H,4,6,9H2,(H2,19,20)(H,21,22)