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

Systemtic Name: 4-methylsulfanyl-2-[2-[2-[(4-sulfamoylphenyl)carbonylamino]ethanoylamino]ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-[[1-oxo-2-[[oxo-(4-sulfamoylphenyl)methyl]amino]ethyl]amino]ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]butyric acid Formula: C16H22N4O7S2 MolecularWeight: 446.49848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O7S2/c1-28-7-6-12(16(24)25)20-14(22)9-18-13(21)8-19-15(23)10-2-4-11(5-3-10)29(17,26)27/h2-5,12H,6-9H2,1H3,(H,18,21)(H,19,23)(H,20,22)(H,24,25)(H2,17,26,27)