tert-butyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-1-oxidanylidene-1-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]propan-2-yl]carbamoylamino]propanoate

Systemtic Name: tert-butyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-1-oxidanylidene-1-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]propan-2-yl]carbamoylamino]propanoate Openeye Name: tert-butyl (2S)-3-(1H-indol-3-yl)-2-[[(1S)-1-methyl-2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethyl]carbamoylamino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[oxo-[[(2S)-1-oxo-1-(2,3,4,5,6-pentafluorophenoxy)propan-2-yl]amino]methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-1-oxo-1-(2,3,4,5,6-pentafluorophenoxy)propan-2-yl]carbamoylamino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[(1S)-2-keto-1-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethyl]carbamoylamino]propionic acid tert-butyl ester Formula: C25H24F5N3O5 MolecularWeight: 541.467176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H24F5N3O5/c1-11(22(34)37-21-19(29)17(27)16(26)18(28)20(21)30)32-24(36)33-15(23(35)38-25(2,3)4)9-12-10-31-14-8-6-5-7-13(12)14/h5-8,10-11,15,31H,9H2,1-4H3,(H2,32,33,36)/t11-,15-/m0/s1