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4-Methyl-5-phenyl-3-{N-(benzyloxycarbonyl)aminomethyl]-1-oxo-3-(methoxycarbonyl)propyl]oxazolidinone
SpectraBase Compound ID HDJdmn8ShcS
InChI InChI=1S/C24H26N2O7/c1-16-21(18-11-7-4-8-12-18)33-24(30)26(16)22(28)19(13-20(27)31-2)14-25-23(29)32-15-17-9-5-3-6-10-17/h3-12,16,19,21H,13-15H2,1-2H3,(H,25,29)/t16-,19-,21-/m0/s1
InChIKey NGBBRIOLICBMOE-LRQRDZAKSA-N
Mol Weight 454.48 g/mol
Molecular Formula C24H26N2O7
Exact Mass 454.174001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UbyPkOem2s
Name 4-Methyl-5-phenyl-3-{N-(benzyloxycarbonyl)aminomethyl]-1-oxo-3-(methoxycarbonyl)propyl]oxazolidinone
Alternate Name(s) (3S)-4-[(4S,5R)-4-methyl-2-oxo-5-phenyl-3-oxazolidinyl]-4-oxo-3-(phenylmethoxycarbonylaminomethyl)butanoic acid methyl ester methyl (3S)-4-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxo-3-(phenylmethoxycarbonylaminomethyl)butanoate methyl (3S)-3-(benzyloxycarbonylaminomethyl)-4-[(4S,5R)-4-methyl-2-oxo-5-phenyl-oxazolidin-3-yl]-4-oxo-butanoate methyl (3S)-4-[(4S,5R)-4-methyl-2-oxidanylidene-5-phenyl-1,3-oxazolidin-3-yl]-4-oxidanylidene-3-(phenylmethoxycarbonylaminomethyl)butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C24H26N2O7
InChI InChI=1S/C24H26N2O7/c1-16-21(18-11-7-4-8-12-18)33-24(30)26(16)22(28)19(13-20(27)31-2)14-25-23(29)32-15-17-9-5-3-6-10-17/h3-12,16,19,21H,13-15H2,1-2H3,(H,25,29)/t16-,19-,21-/m0/s1
InChIKey NGBBRIOLICBMOE-LRQRDZAKSA-N
Molecular Weight 454.479 g/mol
SMILES N(C(=O)OCc1ccccc1)C[C@@](C(N1C(O[C@@]([C@@]1(C)[H])(c1ccccc1)[H])=O)=O)(CC(=O)OC)[H]
SPLASH splash10-0f6x-9000700000-4bf083dfe1f4995ac544
Source of Spectrum AT-37-4280-4
Wiley ID 853548