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(S)-.alpha.-[[(1,1-dimehylethoxy)carbonyl]amino]-4-[2-(1,1-dimethylethoxy)-2-oxoethyl]benzenepropanoic acid methyl ester
SpectraBase Compound ID 55xgKo4plqa
InChI InChI=1S/C21H31NO6/c1-20(2,3)27-17(23)13-15-10-8-14(9-11-15)12-16(18(24)26-7)22-19(25)28-21(4,5)6/h8-11,16H,12-13H2,1-7H3,(H,22,25)/t16-/m0/s1
InChIKey WYVIFIAMSLUCDH-INIZCTEOSA-N
Mol Weight 393.48 g/mol
Molecular Formula C21H31NO6
Exact Mass 393.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyDTYQnxHJU
Name (S)-.alpha.-[[(1,1-dimehylethoxy)carbonyl]amino]-4-[2-(1,1-dimethylethoxy)-2-oxoethyl]benzenepropanoic acid methyl ester
CAS Registry Number 123993-30-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO6
InChI InChI=1S/C21H31NO6/c1-20(2,3)27-17(23)13-15-10-8-14(9-11-15)12-16(18(24)26-7)22-19(25)28-21(4,5)6/h8-11,16H,12-13H2,1-7H3,(H,22,25)/t16-/m0/s1
InChIKey WYVIFIAMSLUCDH-INIZCTEOSA-N
Molecular Weight 393.480 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(=O)OC)(Cc1ccc(CC(OC(C)(C)C)=O)cc1)[H]
SPLASH splash10-0a4i-9020000000-60fc8feb9f0cb99f4f59
Source of Spectrum J-55-909-7
Synonyms Methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-[4-(2-tert-butoxy-2-oxoethyl)phenyl]propanoate (2S)-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester Methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoate Methyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(2-tert-butoxy-2-oxo-ethyl)phenyl]propanoate Methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]phenyl]propanoate
Wiley ID 1366266