2-azanyl-3-[[2-oxidanylidene-2-[(2-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-1-phenyl-ethyl]sulfamoyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[2-oxidanylidene-2-[(2-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-1-phenyl-ethyl]sulfamoyl]propanoic acid Openeye Name: 2-amino-3-[[2-oxo-2-[(2-oxo-1-sulfo-azetidin-3-yl)amino]-1-phenyl-ethyl]sulfamoyl]propanoic acid CAS Name: 2-amino-3-[[2-oxo-2-[(2-oxo-1-sulfo-3-azetidinyl)amino]-1-phenylethyl]sulfamoyl]propanoic acid IUPAC Name: 2-amino-3-[[2-oxo-2-[(2-oxo-1-sulfoazetidin-3-yl)amino]-1-phenylethyl]sulfamoyl]propanoic acid Traditional Name: 2-amino-3-[[2-keto-2-[(2-keto-1-sulfo-azetidin-3-yl)amino]-1-phenyl-ethyl]sulfamoyl]propionic acid Formula: C14H18N4O9S2 MolecularWeight: 450.44412

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)O)NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)CC(C(=O)O)N

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)O)NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)CC(C(=O)O)N

InChI

InChI=1S/C14H18N4O9S2/c15-9(14(21)22)7-28(23,24)17-11(8-4-2-1-3-5-8)12(19)16-10-6-18(13(10)20)29(25,26)27/h1-5,9-11,17H,6-7,15H2,(H,16,19)(H,21,22)(H,25,26,27)