[4-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decyl]phenyl]methyl N-[(2S)-1-oxidanylidene-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamate

Systemtic Name: [4-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decyl]phenyl]methyl N-[(2S)-1-oxidanylidene-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamate Openeye Name: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl N-[(1S)-1-benzyl-2-oxo-2-(4-pyridylmethylamino)ethyl]carbamate CAS Name: N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamic acid [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl ester IUPAC Name: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(4-pyridylmethylamino)ethyl]carbamic acid [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzyl] ester Formula: C33H26F17N3O3 MolecularWeight: 835.550694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=NC=C2)NC(=O)OCC3=CC=C(C=C3)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCC2=CC=NC=C2)NC(=O)OCC3=CC=C(C=C3)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C33H26F17N3O3/c34-26(35,27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)32(46,47)33(48,49)50)13-10-19-6-8-22(9-7-19)18-56-25(55)53-23(16-20-4-2-1-3-5-20)24(54)52-17-21-11-14-51-15-12-21/h1-9,11-12,14-15,23H,10,13,16-18H2,(H,52,54)(H,53,55)/t23-/m0/s1