2-[(6-azanylpyridin-3-yl)methyl]-5-[4-(cyanomethyl)phenyl]-3-sulfanyl-pentanoic acid

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-[4-(cyanomethyl)phenyl]-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-[4-(cyanomethyl)phenyl]-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-5-[4-(cyanomethyl)phenyl]-3-mercaptopentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-[4-(cyanomethyl)phenyl]-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-5-[4-(cyanomethyl)phenyl]-3-mercapto-valeric acid Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C(CC2=CN=C(C=C2)N)C(=O)O)S)CC#N

Isomeric SMILES

C1=CC(=CC=C1CCC(C(CC2=CN=C(C=C2)N)C(=O)O)S)CC#N

InChI

InChI=1S/C19H21N3O2S/c20-10-9-14-3-1-13(2-4-14)5-7-17(25)16(19(23)24)11-15-6-8-18(21)22-12-15/h1-4,6,8,12,16-17,25H,5,7,9,11H2,(H2,21,22)(H,23,24)