2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]carbonylamino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid

Systemtic Name: 2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]carbonylamino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid Openeye Name: 2-[[1-(tert-butoxycarbonylamino)cyclopentanecarbonyl]amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid CAS Name: 2-[[[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid IUPAC Name: 2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid Traditional Name: 2-[[1-(tert-butoxycarbonylamino)cyclopentanecarbonyl]amino]-3-(4-triflyloxyphenyl)propionic acid Formula: C21H27F3N2O8S MolecularWeight: 524.50789

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H27F3N2O8S/c1-19(2,3)33-18(30)26-20(10-4-5-11-20)17(29)25-15(16(27)28)12-13-6-8-14(9-7-13)34-35(31,32)21(22,23)24/h6-9,15H,4-5,10-12H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)