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3-(Trifluoromethyl)-5-[(N-methylamino)carbonyl]-6-phenyl-4-azahexanoic acid
SpectraBase Compound ID 3QijSxxOLuC
InChI InChI=1S/C14H17F3N2O3/c1-18-13(22)10(7-9-5-3-2-4-6-9)19-11(8-12(20)21)14(15,16)17/h2-6,10-11,19H,7-8H2,1H3,(H,18,22)(H,20,21)/t10-,11-/m0/s1
InChIKey MHJCCYVZWMAVRE-QWRGUYRKSA-N
Mol Weight 318.3 g/mol
Molecular Formula C14H17F3N2O3
Exact Mass 318.119127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKsWRFMUmxY
Name 3-(Trifluoromethyl)-5-[(N-methylamino)carbonyl]-6-phenyl-4-azahexanoic acid
Alternate Name(s) (S)-4,4,4-Trifluoro-3-((S)-1-methylcarbamoyl-2-phenyl-ethylamino)-butyric acid 3-(Trifluoromethyl)-5-[(N-methoxyamino)carbonyl]-5-phenyl-4-azahexanoic acid 3-[1-[N-(N'-Methylaminocarbonyl)-2-phenylethyl]amino-4,4,4-trifluorobutanoic acid isomer 3-{[1-benzyl-2-(methylamino)-2-oxoethyl]amino}-4,4,4-trifluorobutanoic acid (3S)-4,4,4-trifluoro-3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]butanoic acid (3S)-3-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-4,4,4-trifluoro-butanoic acid (3S)-4,4,4-tris(fluoranyl)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butanoic acid
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Formula C14H17F3N2O3
InChI InChI=1S/C14H17F3N2O3/c1-18-13(22)10(7-9-5-3-2-4-6-9)19-11(8-12(20)21)14(15,16)17/h2-6,10-11,19H,7-8H2,1H3,(H,18,22)(H,20,21)/t10-,11-/m0/s1
InChIKey MHJCCYVZWMAVRE-QWRGUYRKSA-N
Molecular Weight 318.296 g/mol
SMILES N([C@@](CC(=O)O)(C(F)(F)F)[H])[C@](C(=O)NC)(Cc1ccccc1)[H]
SPLASH splash10-03di-0090000000-2547ef682dec857278e5
Source of Spectrum K1-2002-435-8
Wiley ID 1522013