2-[2-[[2-[(2-fluoranyl-4-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoic acid

Systemtic Name: 2-[2-[[2-[(2-fluoranyl-4-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoic acid Openeye Name: 2-[tert-butoxycarbonyl-[2-[tert-butoxycarbonyl-[2-(2-fluoro-4-sulfamoyl-anilino)-2-oxo-ethyl]amino]ethyl]amino]acetic acid CAS Name: 2-[2-[[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[2-[[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid Traditional Name: 2-[tert-butoxycarbonyl-[2-[tert-butoxycarbonyl-[2-(2-fluoro-4-sulfamoyl-anilino)-2-keto-ethyl]amino]ethyl]amino]acetic acid Formula: C22H33FN4O9S MolecularWeight: 548.582223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCN(CC(=O)O)C(=O)OC(C)(C)C)CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N)F

Isomeric SMILES

CC(C)(C)OC(=O)N(CCN(CC(=O)O)C(=O)OC(C)(C)C)CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N)F

InChI

InChI=1S/C22H33FN4O9S/c1-21(2,3)35-19(31)26(9-10-27(13-18(29)30)20(32)36-22(4,5)6)12-17(28)25-16-8-7-14(11-15(16)23)37(24,33)34/h7-8,11H,9-10,12-13H2,1-6H3,(H,25,28)(H,29,30)(H2,24,33,34)