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tert-Butyl (2S)-1-(Benzyloxycarbonyl)-4.alpha.-(hydroxy(m-methoxyphenyl)methyl)pyroglutamate
SpectraBase Compound ID 9m54qsNqdqa
InChI InChI=1S/C25H29NO7/c1-25(2,3)33-23(29)20-14-19(21(27)17-11-8-12-18(13-17)31-4)22(28)26(20)24(30)32-15-16-9-6-5-7-10-16/h5-13,19-21,27H,14-15H2,1-4H3/t19-,20+,21?/m1/s1
InChIKey MTXKIDFRXCLUDQ-PDYHCXRVSA-N
Mol Weight 455.51 g/mol
Molecular Formula C25H29NO7
Exact Mass 455.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KepGi00MTkP
Name tert-Butyl (2S)-1-(Benzyloxycarbonyl)-4.alpha.-(hydroxy(m-methoxyphenyl)methyl)pyroglutamate
Alternate Name(s) tert-Butyl (2S)-1-(Benzyloxycarbonyl)-4.beta.-(hydroxy(m-methoxyphenyl)methyl)pyroglutamate 1-Benzyl 2-tert-butyl (2S,4R)-4-[hydroxy(3-methoxyphenyl)methyl]-5-oxo-1,2-pyrrolidinedicarboxylate
CAS Registry Number 138858-36-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29NO7
InChI InChI=1S/C25H29NO7/c1-25(2,3)33-23(29)20-14-19(21(27)17-11-8-12-18(13-17)31-4)22(28)26(20)24(30)32-15-16-9-6-5-7-10-16/h5-13,19-21,27H,14-15H2,1-4H3/t19-,20+,21?/m1/s1
InChIKey MTXKIDFRXCLUDQ-PDYHCXRVSA-N
Molecular Weight 455.507 g/mol
SMILES OC([C@@]1(C(N([C@](C(OC(C)(C)C)=O)(C1)[H])C(OCc1ccccc1)=O)=O)[H])c1cc(OC)ccc1
SPLASH splash10-0006-9031100000-27a85bb6941832cf8758
Source of Spectrum J-57-1923-3
Wiley ID 1389050