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N-Cyclohexyl 4-(4-Methoxybenzyl)-2-(4-trifluoromethylphenyl)-5-oxo-(S)-6-(tert-butoxycarbonylamino)-4,5,6,7-tetrahydro-1H-1,4-diazepine-3-carboxamide

View entire compound with spectra: 1 MS (GC)

N-Cyclohexyl 4-(4-Methoxybenzyl)-2-(4-trifluoromethylphenyl)-5-oxo-(S)-6-(tert-butoxycarbonylamino)-4,5,6,7-tetrahydro-1H-1,4-diazepine-3-carboxamide
SpectraBase Compound ID 2vZdLuV9kH
InChI InChI=1S/C32H39F3N4O5/c1-31(2,3)44-30(42)38-25-18-36-26(21-12-14-22(15-13-21)32(33,34)35)27(28(40)37-23-8-6-5-7-9-23)39(29(25)41)19-20-10-16-24(43-4)17-11-20/h10-17,23,25,36H,5-9,18-19H2,1-4H3,(H,37,40)(H,38,42)/t25-/m0/s1
InChIKey NRPBNVAJHNYFEP-VWLOTQADSA-N
Mol Weight 616.7 g/mol
Molecular Formula C32H39F3N4O5
Exact Mass 616.287255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDzBErkY0mH
Name N-Cyclohexyl 4-(4-Methoxybenzyl)-2-(4-trifluoromethylphenyl)-5-oxo-(S)-6-(tert-butoxycarbonylamino)-4,5,6,7-tetrahydro-1H-1,4-diazepine-3-carboxamide
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Formula C32H39F3N4O5
InChI InChI=1S/C32H39F3N4O5/c1-31(2,3)44-30(42)38-25-18-36-26(21-12-14-22(15-13-21)32(33,34)35)27(28(40)37-23-8-6-5-7-9-23)39(29(25)41)19-20-10-16-24(43-4)17-11-20/h10-17,23,25,36H,5-9,18-19H2,1-4H3,(H,37,40)(H,38,42)/t25-/m0/s1
InChIKey NRPBNVAJHNYFEP-VWLOTQADSA-N
Molecular Weight 616.682 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@]1(C(N(C(=C(NC1)c1ccc(C(F)(F)F)cc1)C(NC1CCCCC1)=O)Cc1ccc(cc1)OC)=O)[H]
SPLASH splash10-0079-0600901000-edc922dc0173e6a72cd6
Source of Spectrum F-66-6786-6d
Wiley ID 1684240