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(S)-.alpha.[[(1,1-dimethylethoxy)carbonyl]amino]-4-[2-(methyloxy)-2-oxoethyl]benzenepropanoic acid phenylmethyl ester
SpectraBase Compound ID 9WIlhdNwB5A
InChI InChI=1S/C24H29NO6/c1-24(2,3)31-23(28)25-20(22(27)30-16-19-8-6-5-7-9-19)14-17-10-12-18(13-11-17)15-21(26)29-4/h5-13,20H,14-16H2,1-4H3,(H,25,28)/t20-/m0/s1
InChIKey YTVCNPNAACRASO-FQEVSTJZSA-N
Mol Weight 427.5 g/mol
Molecular Formula C24H29NO6
Exact Mass 427.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAoZLHFYUm4
Name (S)-.alpha.[[(1,1-dimethylethoxy)carbonyl]amino]-4-[2-(methyloxy)-2-oxoethyl]benzenepropanoic acid phenylmethyl ester
CAS Registry Number 123993-29-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29NO6
InChI InChI=1S/C24H29NO6/c1-24(2,3)31-23(28)25-20(22(27)30-16-19-8-6-5-7-9-19)14-17-10-12-18(13-11-17)15-21(26)29-4/h5-13,20H,14-16H2,1-4H3,(H,25,28)/t20-/m0/s1
InChIKey YTVCNPNAACRASO-FQEVSTJZSA-N
Molecular Weight 427.497 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(Cc1ccc(CC(=O)OC)cc1)[H]
SPLASH splash10-0006-9610000000-45b547e7b3ba6e0bc04f
Source of Spectrum J-55-909-7
Synonyms benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-[4-(2-methoxy-2-oxoethyl)phenyl]propanoate (2S)-3-[4-(2-methoxy-2-oxoethyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester benzyl (2S)-3-[4-(2-methoxy-2-oxoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate benzyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(2-methoxy-2-oxo-ethyl)phenyl]propanoate (phenylmethyl) (2S)-3-[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Wiley ID 1380417