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(S)-4-(carboxymethyl)-.alpha.-[[(1,1-dimethylethoxy)-carbonyl]amino]benzenepropanoic acid methyl ester
SpectraBase Compound ID JsL7oltve0G
InChI InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(15(21)23-4)9-11-5-7-12(8-6-11)10-14(19)20/h5-8,13H,9-10H2,1-4H3,(H,18,22)(H,19,20)/t13-/m0/s1
InChIKey VWFWNFYDYJFPAC-ZDUSSCGKSA-N
Mol Weight 337.37 g/mol
Molecular Formula C17H23NO6
Exact Mass 337.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4F0LaCy59sO
Name (S)-4-(carboxymethyl)-.alpha.-[[(1,1-dimethylethoxy)-carbonyl]amino]benzenepropanoic acid methyl ester
Alternate Name(s) (4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)acetic acid 2-[4-[(2S)-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]phenyl]acetic acid 2-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]acetic acid 2-[4-[(2S)-2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propyl]phenyl]acetic acid 2-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenyl]ethanoic acid
CAS Registry Number 123993-28-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO6
InChI InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(15(21)23-4)9-11-5-7-12(8-6-11)10-14(19)20/h5-8,13H,9-10H2,1-4H3,(H,18,22)(H,19,20)/t13-/m0/s1
InChIKey VWFWNFYDYJFPAC-ZDUSSCGKSA-N
Molecular Weight 337.372 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](Cc1ccc(CC(=O)O)cc1)(C(=O)OC)[H]
SPLASH splash10-000i-9210000000-e338231b75680add1c7f
Source of Spectrum J-55-909-6
Wiley ID 1333032