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5-[N-(Benzyloxy)aminocarbonyl]-3-(trifluoromethyl)-2-benzyl-4-azapentyl-1-(N-methyl)carboxamide
SpectraBase Compound ID K9d3DPgHK3J
InChI InChI=1S/C21H24F3N3O3/c1-25-20(29)17(12-15-8-4-2-5-9-15)26-18(21(22,23)24)13-19(28)27-30-14-16-10-6-3-7-11-16/h2-11,17-18,26H,12-14H2,1H3,(H,25,29)(H,27,28)/t17-,18-/m0/s1
InChIKey VGBQJJYEUMJOOP-ROUUACIJSA-N
Mol Weight 423.44 g/mol
Molecular Formula C21H24F3N3O3
Exact Mass 423.176976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FGRWWvkfEn
Name 5-[N-(Benzyloxy)aminocarbonyl]-3-(trifluoromethyl)-2-benzyl-4-azapentyl-1-(N-methyl)carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24F3N3O3
InChI InChI=1S/C21H24F3N3O3/c1-25-20(29)17(12-15-8-4-2-5-9-15)26-18(21(22,23)24)13-19(28)27-30-14-16-10-6-3-7-11-16/h2-11,17-18,26H,12-14H2,1H3,(H,25,29)(H,27,28)/t17-,18-/m0/s1
InChIKey VGBQJJYEUMJOOP-ROUUACIJSA-N
Molecular Weight 423.436 g/mol
SMILES N([C@@](CC(=O)NOCc1ccccc1)(C(F)(F)F)[H])[C@](C(=O)NC)(Cc1ccccc1)[H]
SPLASH splash10-014l-4009000000-d459001844bdaa584e3b
Source of Spectrum K1-2002-435-9
Synonyms (S)-N-Benzyloxy-4,4,4-trifluoro-3-((S)-1-methylcarbamoyl-2-phenyl-ethylamino)-butyramide (3S)-4,4,4-trifluoro-3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-N-phenylmethoxybutanamide (3S)-3-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-N-benzyloxy-4,4,4-trifluoro-butanamide (3S)-4,4,4-tris(fluoranyl)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-N-phenylmethoxy-butanamide
Wiley ID 871886