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

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-[3-(methylsulfamoyl)phenyl]-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-[3-(methylsulfamoyl)phenyl]-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-3-mercapto-5-[3-(methylsulfamoyl)phenyl]pentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-[3-(methylsulfamoyl)phenyl]-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-3-mercapto-5-[3-(methylsulfamoyl)phenyl]valeric acid Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S2/c1-20-27(24,25)14-4-2-3-12(9-14)5-7-16(26)15(18(22)23)10-13-6-8-17(19)21-11-13/h2-4,6,8-9,11,15-16,20,26H,5,7,10H2,1H3,(H2,19,21)(H,22,23)