tert-butyl N-[(5-iodanyl-2-methoxy-phenyl)methyl]-N-[6-[(2-methylpropan-2-yl)oxycarbonyl-[8-[(2-methylpropan-2-yl)oxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonyl-[3-[2,2,2-tris(fluoranyl)ethanoylamino]propyl]amino]hexyl]amino]octyl]amino]hexyl]carbamate

Systemtic Name: tert-butyl N-[(5-iodanyl-2-methoxy-phenyl)methyl]-N-[6-[(2-methylpropan-2-yl)oxycarbonyl-[8-[(2-methylpropan-2-yl)oxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonyl-[3-[2,2,2-tris(fluoranyl)ethanoylamino]propyl]amino]hexyl]amino]octyl]amino]hexyl]carbamate Openeye Name: tert-butyl N-[6-[tert-butoxycarbonyl-[8-[tert-butoxycarbonyl-[6-[tert-butoxycarbonyl-[(5-iodo-2-methoxy-phenyl)methyl]amino]hexyl]amino]octyl]amino]hexyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamate CAS Name: N-[(5-iodo-2-methoxyphenyl)methyl]-N-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[8-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[3-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl]amino]hexyl]amino]octyl]amino]hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5-iodo-2-methoxyphenyl)methyl]-N-[6-[(2-methylpropan-2-yl)oxycarbonyl-[8-[(2-methylpropan-2-yl)oxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]hexyl]amino]octyl]amino]hexyl]carbamate Traditional Name: N-[6-[tert-butoxycarbonyl-[8-[tert-butoxycarbonyl-[6-[tert-butoxycarbonyl-(5-iodo-2-methoxy-benzyl)amino]hexyl]amino]octyl]amino]hexyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamic acid tert-butyl ester Formula: C53H91F3IN5O10 MolecularWeight: 1142.21682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCCCCCN(CCCCCCN(CC1=C(C=CC(=C1)I)OC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCCCCCN(CCCCCCN(CC1=C(C=CC(=C1)I)OC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C53H91F3IN5O10/c1-49(2,3)69-45(64)59(34-24-18-19-26-36-61(47(66)71-51(7,8)9)38-28-31-58-44(63)53(54,55)56)32-22-16-14-15-17-23-33-60(46(65)70-50(4,5)6)35-25-20-21-27-37-62(48(67)72-52(10,11)12)40-41-39-42(57)29-30-43(41)68-13/h29-30,39H,14-28,31-38,40H2,1-13H3,(H,58,63)