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

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-(4-sulfamoylphenyl)-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-(4-sulfamoylphenyl)-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-3-mercapto-5-(4-sulfamoylphenyl)pentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-(4-sulfamoylphenyl)-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-3-mercapto-5-(4-sulfamoylphenyl)valeric acid Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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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)S(=O)(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S2/c18-16-8-4-12(10-20-16)9-14(17(21)22)15(25)7-3-11-1-5-13(6-2-11)26(19,23)24/h1-2,4-6,8,10,14-15,25H,3,7,9H2,(H2,18,20)(H,21,22)(H2,19,23,24)