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(2S)-2-[[(2R,3R)-3-carbethoxyethylenimine-2-carbonyl]amino]-4-methyl-valeric acid
SpectraBase Compound ID 6kPwAGZyID8
InChI InChI=1S/C12H20N2O5/c1-4-19-12(18)9-8(14-9)10(15)13-7(11(16)17)5-6(2)3/h6-9,14H,4-5H2,1-3H3,(H,13,15)(H,16,17)/t7-,8+,9+/m0/s1
InChIKey OHGCIIBTEQKBFD-DJLDLDEBSA-N
Mol Weight 272.3 g/mol
Molecular Formula C12H20N2O5
Exact Mass 272.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJSRV2tiItB
Name (2S)-2-[[(2R,3R)-3-carbethoxyethylenimine-2-carbonyl]amino]-4-methyl-valeric acid
Comments Less than 3 mono-isotopic peaks
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Formula C12H20N2O5
InChI InChI=1S/C12H20N2O5/c1-4-19-12(18)9-8(14-9)10(15)13-7(11(16)17)5-6(2)3/h6-9,14H,4-5H2,1-3H3,(H,13,15)(H,16,17)/t7-,8+,9+/m0/s1
InChIKey OHGCIIBTEQKBFD-DJLDLDEBSA-N
Molecular Weight 272.301 g/mol
SMILES N([C@](C(=O)O)(CC(C)C)[H])C([C@@]1(N[C@]1(C(=O)OCC)[H])[H])=O
SPLASH splash10-004i-0090000000-3277db101d65d4f0c3d5
Source of Spectrum F2-42-568-15
Synonyms (2S)-2-[[(2R,3R)-3-ethoxycarbonylaziridin-2-yl]carbonylamino]-4-methyl-pentanoic acid (2S)-2-[[(2R,3R)-3-ethoxycarbonylaziridine-2-carbonyl]amino]-4-methyl-pentanoic acid (2S)-2-[[[(2R,3R)-3-ethoxycarbonyl-2-aziridinyl]-oxomethyl]amino]-4-methylpentanoic acid
Wiley ID 1600033