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2-Isoxazolidinecarboxylic acid, 3-[[[1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxoethyl]amino]carbonyl]-, phenylmethyl ester, [S-(R*,R*)]-
SpectraBase Compound ID LMK2Nke2w3H
InChI InChI=1S/C22H24N2O7/c1-29-21(27)18(13-15-7-9-17(25)10-8-15)23-20(26)19-11-12-31-24(19)22(28)30-14-16-5-3-2-4-6-16/h2-10,18-19,25H,11-14H2,1H3,(H,23,26)/t18-,19-/m0/s1
InChIKey FYBBOJWHCFEXOP-OALUTQOASA-N
Mol Weight 428.44 g/mol
Molecular Formula C22H24N2O7
Exact Mass 428.158351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJPXvzf7hNy
Name 2-Isoxazolidinecarboxylic acid, 3-[[[1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxoethyl]amino]carbonyl]-, phenylmethyl ester, [S-(R*,R*)]-
Alternate Name(s) benzyl (3S)-3-({[(1S)-1-(4-hydroxybenzyl)-2-methoxy-2-oxoethyl]amino}carbonyl)-2-isoxazolidinecarboxylate Methyl ester of N-(N-benzyloxycarbonyl-L-3-isoxazolidinecarbonyl)-L-tyrosine
CAS Registry Number 87423-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N2O7
InChI InChI=1S/C22H24N2O7/c1-29-21(27)18(13-15-7-9-17(25)10-8-15)23-20(26)19-11-12-31-24(19)22(28)30-14-16-5-3-2-4-6-16/h2-10,18-19,25H,11-14H2,1H3,(H,23,26)/t18-,19-/m0/s1
InChIKey FYBBOJWHCFEXOP-OALUTQOASA-N
Molecular Weight 428.441 g/mol
SMILES N(C([C@]1(N(C(OCc2ccccc2)=O)OCC1)[H])=O)[C@@](Cc1ccc(cc1)O)(C(=O)OC)[H]
SPLASH splash10-0a6u-8930000000-ef36481cd28412bba36e
Source of Spectrum H-66-1250-0
Wiley ID 1380640