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

Systemtic Name: 3-methyl-2-[2-[2-[(4-sulfamoylphenyl)carbonylamino]ethanoylamino]ethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[[1-oxo-2-[[oxo-(4-sulfamoylphenyl)methyl]amino]ethyl]amino]ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]butyric acid Formula: C16H22N4O7S MolecularWeight: 414.43348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O7S/c1-9(2)14(16(24)25)20-13(22)8-18-12(21)7-19-15(23)10-3-5-11(6-4-10)28(17,26)27/h3-6,9,14H,7-8H2,1-2H3,(H,18,21)(H,19,23)(H,20,22)(H,24,25)(H2,17,26,27)