4-methylsulfanyl-2-[2-[(4-sulfamoylphenyl)carbonylamino]ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-[(4-sulfamoylphenyl)carbonylamino]ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-[[oxo-(4-sulfamoylphenyl)methyl]amino]ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]butyric acid Formula: C14H19N3O6S2 MolecularWeight: 389.44716

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C14H19N3O6S2/c1-24-7-6-11(14(20)21)17-12(18)8-16-13(19)9-2-4-10(5-3-9)25(15,22)23/h2-5,11H,6-8H2,1H3,(H,16,19)(H,17,18)(H,20,21)(H2,15,22,23)