2-[[3-[[1-[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]piperidin-4-yl]methoxy]-5-(trifluoromethyl)phenyl]-(2-chlorophenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[3-[[1-[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]piperidin-4-yl]methoxy]-5-(trifluoromethyl)phenyl]-(2-chlorophenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[3-[[1-[(Z)-N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-4-piperidyl]methoxy]-N-(2-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid CAS Name: 2-[N-(2-chlorophenyl)sulfonyl-3-[[1-[(Z)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]-4-piperidinyl]methoxy]-5-(trifluoromethyl)anilino]acetic acid IUPAC Name: 2-[3-[[1-[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]piperidin-4-yl]methoxy]-N-(2-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid Traditional Name: 2-[3-[[1-[(Z)-N,N'-bis(tert-butoxycarbonyl)amidino]-4-piperidyl]methoxy]-N-(2-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid Formula: C32H40ClF3N4O9S MolecularWeight: 749.19461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1CCC(CC1)COC2=CC(=CC(=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC=C3Cl)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=N/C(=O)OC(C)(C)C)/N1CCC(CC1)COC2=CC(=CC(=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC=C3Cl)C(F)(F)F

InChI

InChI=1S/C32H40ClF3N4O9S/c1-30(2,3)48-28(43)37-27(38-29(44)49-31(4,5)6)39-13-11-20(12-14-39)19-47-23-16-21(32(34,35)36)15-22(17-23)40(18-26(41)42)50(45,46)25-10-8-7-9-24(25)33/h7-10,15-17,20H,11-14,18-19H2,1-6H3,(H,41,42)(H,37,38,43,44)