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Benzyl (2S,3S)-3-{[(tert-Butoxy)carbonyl]amino}-2,4-dimethylpantanoate
SpectraBase Compound ID GrHh79ZbHAj
InChI InChI=1S/C19H29NO4/c1-13(2)16(20-18(22)24-19(4,5)6)14(3)17(21)23-12-15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3,(H,20,22)/t14-,16-/m0/s1
InChIKey NKBZEMJFBMJMGE-HOCLYGCPSA-N
Mol Weight 335.44 g/mol
Molecular Formula C19H29NO4
Exact Mass 335.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cht5kJivqH
Name Benzyl (2S,3S)-3-{[(tert-Butoxy)carbonyl]amino}-2,4-dimethylpantanoate
Alternate Name(s) Boc-(2S,3S)-beta(2,3)-HVal(alpha-Me)-OBn benzyl (2S,3S)-3-((tert-butoxycarbonyl)amino)-2,4-dimethylpentanoate
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Formula C19H29NO4
InChI InChI=1S/C19H29NO4/c1-13(2)16(20-18(22)24-19(4,5)6)14(3)17(21)23-12-15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3,(H,20,22)/t14-,16-/m0/s1
InChIKey NKBZEMJFBMJMGE-HOCLYGCPSA-N
Literature Reference DOI 10.1002/hlca.19980810513
Molecular Weight 335.444 g/mol
SMILES N([C@@](C(C)C)([C@](C)(C(=O)OCc1ccccc1)[H])[H])C(OC(C)(C)C)=O
SPLASH splash10-0006-9240000000-d1e619ed291c11982f8d
Source of Spectrum H-81-972-15b
Wiley ID 1785319