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tert-Butyl N-methyl-(S)-leucyl-(R)-3-phenylacetate
SpectraBase Compound ID LIwokfJmCK7
InChI InChI=1S/C20H31NO4/c1-14(2)12-16(21-6)18(22)24-17(19(23)25-20(3,4)5)13-15-10-8-7-9-11-15/h7-11,14,16-17,21H,12-13H2,1-6H3/t16-,17+/m0/s1
InChIKey LNCROPIBLNXCLJ-DLBZAZTESA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUnnV1XEqHh
Name tert-Butyl N-methyl-(S)-leucyl-(R)-3-phenylacetate
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Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-14(2)12-16(21-6)18(22)24-17(19(23)25-20(3,4)5)13-15-10-8-7-9-11-15/h7-11,14,16-17,21H,12-13H2,1-6H3/t16-,17+/m0/s1
InChIKey LNCROPIBLNXCLJ-DLBZAZTESA-N
Molecular Weight 349.471 g/mol
SMILES N([C@](C(O[C@@](C(OC(C)(C)C)=O)(Cc1ccccc1)[H])=O)(CC(C)C)[H])C
SPLASH splash10-0udi-0900000000-fc59bede5dec610033c9
Source of Spectrum F-51-8465-12
Synonyms (2S)-4-methyl-2-(methylamino)pentanoic acid[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]ester (2S)-4-methyl-2-(methylamino)valeric acid[(1R)-1-benzyl-2-tert-butoxy-2-keto-ethyl]ester [(1R)-1-benzyl-2-tert-butoxy-2-oxo-ethyl](2S)-4-methyl-2-(methylamino)pentanoate [(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3-phenyl-propan-2-yl](2S)-4-methyl-2-(methylamino)pentanoate [(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl](2S)-4-methyl-2-(methylamino)pentanoate (2S)-4-methyl-2-(methylamino)pentanoic acid [(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl] ester [(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate [(1R)-1-benzyl-2-tert-butoxy-2-oxo-ethyl] (2S)-4-methyl-2-(methylamino)pentanoate [(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3-phenyl-propan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate
Wiley ID 792724