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(2S)-2-(tert-butoxycarbonylamino)-6-(2-cyanoethylamino)hexanoic acid methyl ester
SpectraBase Compound ID 3TVkcoje7uL
InChI InChI=1S/C15H27N3O4/c1-15(2,3)22-14(20)18-12(13(19)21-4)8-5-6-10-17-11-7-9-16/h12,17H,5-8,10-11H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKey OHTRGJREZYGQNQ-LBPRGKRZSA-N
Mol Weight 313.4 g/mol
Molecular Formula C15H27N3O4
Exact Mass 313.200156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bj9tsasEuX8
Name (2S)-2-(tert-butoxycarbonylamino)-6-(2-cyanoethylamino)hexanoic acid methyl ester
Alternate Name(s) (2S)-6-(2-cyanoethylamino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid methyl ester Methyl (2S)-6-(2-cyanoethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
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Formula C15H27N3O4
InChI InChI=1S/C15H27N3O4/c1-15(2,3)22-14(20)18-12(13(19)21-4)8-5-6-10-17-11-7-9-16/h12,17H,5-8,10-11H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKey OHTRGJREZYGQNQ-LBPRGKRZSA-N
Molecular Weight 313.398 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](CCCCNCCC#N)(C(=O)OC)[H]
SPLASH splash10-0a4i-9000000000-aea69a31eda0ac5baf21
Source of Spectrum F-38-410-0
Wiley ID 1314147