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(3S)-3-(cyanomethyl)-4-keto-4-[(4S,5R)-2-keto-4-methyl-5-phenyl-oxazolidin-3-yl]butyric acid
SpectraBase Compound ID 8eJD2a6Ggfg
InChI InChI=1S/C16H16N2O5/c1-10-14(11-5-3-2-4-6-11)23-16(22)18(10)15(21)12(7-8-17)9-13(19)20/h2-6,10,12,14H,7,9H2,1H3,(H,19,20)/t10-,12-,14-/m0/s1
InChIKey NEQOLFRSUYJHSE-JKOKRWQUSA-N
Mol Weight 316.31 g/mol
Molecular Formula C16H16N2O5
Exact Mass 316.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ucJyvM0shP
Name (3S)-3-(cyanomethyl)-4-keto-4-[(4S,5R)-2-keto-4-methyl-5-phenyl-oxazolidin-3-yl]butyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O5
InChI InChI=1S/C16H16N2O5/c1-10-14(11-5-3-2-4-6-11)23-16(22)18(10)15(21)12(7-8-17)9-13(19)20/h2-6,10,12,14H,7,9H2,1H3,(H,19,20)/t10-,12-,14-/m0/s1
InChIKey NEQOLFRSUYJHSE-JKOKRWQUSA-N
Molecular Weight 316.313 g/mol
SMILES OC(C[C@@](C(N1C(O[C@@]([C@@]1(C)[H])(c1ccccc1)[H])=O)=O)(CC#N)[H])=O
SPLASH splash10-0a4i-0900000000-9a3da15e335cd80a410d
Source of Spectrum KC-0-624-6
Synonyms (3S)-3-(cyanomethyl)-4-[(4S,5R)-4-methyl-2-oxidanylidene-5-phenyl-1,3-oxazolidin-3-yl]-4-oxidanylidene-butanoic acid (3S)-3-(cyanomethyl)-4-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutanoic acid (3S)-3-(cyanomethyl)-4-[(4S,5R)-4-methyl-2-oxo-5-phenyl-3-oxazolidinyl]-4-oxobutanoic acid (3S)-3-(cyanomethyl)-4-[(4S,5R)-4-methyl-2-oxo-5-phenyl-oxazolidin-3-yl]-4-oxo-butanoic acid
Wiley ID 785335