[3-[[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]-2-oxidanylidene-imidazolidin-1-yl]carbonylsulfamoylcarbamoyl]-2-oxidanylidene-azetidin-3-yl]carbamic acid

Systemtic Name: [3-[[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]-2-oxidanylidene-imidazolidin-1-yl]carbonylsulfamoylcarbamoyl]-2-oxidanylidene-azetidin-3-yl]carbamic acid Openeye Name: [3-[[3-[(3,4-dihydroxybenzoyl)amino]-2-oxo-imidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxo-azetidin-3-yl]carbamic acid CAS Name: [3-[[[[3-[[(3,4-dihydroxyphenyl)-oxomethyl]amino]-2-oxo-1-imidazolidinyl]-oxomethyl]sulfamoylamino]-oxomethyl]-2-oxo-3-azetidinyl]carbamic acid IUPAC Name: [3-[[3-[(3,4-dihydroxybenzoyl)amino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid Traditional Name: [2-keto-3-[[2-keto-3-(protocatechuoylamino)imidazolidine-1-carbonyl]sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid Formula: C16H17N7O11S MolecularWeight: 515.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1C(=O)NS(=O)(=O)NC(=O)C2(CNC2=O)NC(=O)O)NC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

C1CN(C(=O)N1C(=O)NS(=O)(=O)NC(=O)C2(CNC2=O)NC(=O)O)NC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C16H17N7O11S/c24-8-2-1-7(5-9(8)25)10(26)19-23-4-3-22(15(23)32)13(29)21-35(33,34)20-12(28)16(18-14(30)31)6-17-11(16)27/h1-2,5,18,24-25H,3-4,6H2,(H,17,27)(H,19,26)(H,20,28)(H,21,29)(H,30,31)