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

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-[3-[cyanomethyl(methyl)sulfamoyl]phenyl]-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-[3-[cyanomethyl(methyl)sulfamoyl]phenyl]-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-5-[3-[cyanomethyl(methyl)sulfamoyl]phenyl]-3-mercaptopentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-[3-[cyanomethyl(methyl)sulfamoyl]phenyl]-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-5-[3-[cyanomethyl(methyl)sulfamoyl]phenyl]-3-mercapto-valeric acid Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S2/c1-24(10-9-21)30(27,28)16-4-2-3-14(11-16)5-7-18(29)17(20(25)26)12-15-6-8-19(22)23-13-15/h2-4,6,8,11,13,17-18,29H,5,7,10,12H2,1H3,(H2,22,23)(H,25,26)