tert-butyl (NE)-N-[[[4-[5-[4-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)phenyl]amino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate

Systemtic Name: tert-butyl (NE)-N-[[[4-[5-[4-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)phenyl]amino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Openeye Name: tert-butyl (NE)-N-[[4-[5-[4-[[(E)-N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]amino]-2-(trifluoromethyl)phenyl]-2-furyl]-3-(trifluoromethyl)anilino]-(tert-butoxycarbonylamino)methylene]carbamate CAS Name: (NE)-N-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[4-[5-[4-[[(E)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]amino]-2-(trifluoromethyl)phenyl]-2-furanyl]-3-(trifluoromethyl)anilino]methylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NE)-N-[[4-[5-[4-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)anilino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Traditional Name: (NE)-N-[[4-[5-[4-[[(E)-N,N'-bis(tert-butoxycarbonyl)amidino]amino]-2-(trifluoromethyl)phenyl]-2-furyl]-3-(trifluoromethyl)anilino]-(tert-butoxycarbonylamino)methylene]carbamic acid tert-butyl ester Formula: C40H48F6N6O9 MolecularWeight: 870.834339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)NC1=CC(=C(C=C1)C2=CC=C(O2)C3=C(C=C(C=C3)NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(OC(=O)N/C(=N/C(=O)OC(C)(C)C)/NC1=CC(=C(C=C1)C2=CC=C(O2)C3=C(C=C(C=C3)N/C(=N\C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C)C(F)(F)F)C(F)(F)F)(C)C

InChI

InChI=1S/C40H48F6N6O9/c1-35(2,3)58-31(53)49-29(50-32(54)59-36(4,5)6)47-21-13-15-23(25(19-21)39(41,42)43)27-17-18-28(57-27)24-16-14-22(20-26(24)40(44,45)46)48-30(51-33(55)60-37(7,8)9)52-34(56)61-38(10,11)12/h13-20H,1-12H3,(H2,47,49,50,53,54)(H2,48,51,52,55,56)