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(2S,3R)-1-benzyl-3-[(1S)-1-(benzyloxycarbonylamino)ethyl]-4-keto-azetidine-2-carboxylic acid
SpectraBase Compound ID IvYvkvwb9A4
InChI InChI=1S/C21H22N2O5/c1-14(22-21(27)28-13-16-10-6-3-7-11-16)17-18(20(25)26)23(19(17)24)12-15-8-4-2-5-9-15/h2-11,14,17-18H,12-13H2,1H3,(H,22,27)(H,25,26)/t14-,17+,18-/m0/s1
InChIKey ROOCPPXJUFANJY-QGTPRVQTSA-N
Mol Weight 382.42 g/mol
Molecular Formula C21H22N2O5
Exact Mass 382.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApUaEs8yb2G
Name (2S,3R)-1-benzyl-3-[(1S)-1-(benzyloxycarbonylamino)ethyl]-4-keto-azetidine-2-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C21H22N2O5
InChI InChI=1S/C21H22N2O5/c1-14(22-21(27)28-13-16-10-6-3-7-11-16)17-18(20(25)26)23(19(17)24)12-15-8-4-2-5-9-15/h2-11,14,17-18H,12-13H2,1H3,(H,22,27)(H,25,26)/t14-,17+,18-/m0/s1
InChIKey ROOCPPXJUFANJY-QGTPRVQTSA-N
Molecular Weight 382.416 g/mol
SMILES OC([C@@]1([C@@]([C@@](NC(=O)OCc2ccccc2)(C)[H])(C(N1Cc1ccccc1)=O)[H])[H])=O
SPLASH splash10-0006-9000000000-f68777d4920cb483c1ab
Source of Spectrum K-2001-2575-34
Synonyms (2S,3R)-1-benzyl-3-[(1S)-1-(benzyloxycarbonylamino)ethyl]-4-oxo-azetidine-2-carboxylic acid (2S,3R)-1-benzyl-4-oxo-3-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]azetidine-2-carboxylic acid (2S,3R)-4-oxidanylidene-3-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-1-(phenylmethyl)azetidine-2-carboxylic acid (2S,3R)-4-oxo-3-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-1-(phenylmethyl)-2-azetidinecarboxylic acid
Wiley ID 1579717