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Alanine, N-(N-benzyloxycarbonyl-L-isoleucyl)-, methyl ester
SpectraBase Compound ID CU8jZ8pHQGy
InChI InChI=1S/C18H26N2O5/c1-5-12(2)15(16(21)19-13(3)17(22)24-4)20-18(23)25-11-14-9-7-6-8-10-14/h6-10,12-13,15H,5,11H2,1-4H3,(H,19,21)(H,20,23)/t12-,13-,15-/m0/s1
InChIKey BYXMOKFOFBAOOM-YDHLFZDLSA-N
Mol Weight 350.42 g/mol
Molecular Formula C18H26N2O5
Exact Mass 350.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3HbPl2NN5c
Name Alanine, N-(N-benzyloxycarbonyl-L-isoleucyl)-, methyl ester
Alternate Name(s) Alanine, N-(N-benzyloxycarbonyl-L-isoleucyl)-, N-benzyl methyl ester, L- L-Alanine, N-[N-[(phenylmethoxy)carbonyl]-L-isoleucyl]-, methyl ester (1S,2S)-1-({benzyl[(1S)-2-methoxy-1-methyl-2-oxoethyl]amino}carbonyl)-2-methylbutylcarbamic acid Benzyloxycarbonyl-isoleucine-methoxyalanine CBZ-ILE-ALA-OCH3
CAS Registry Number 4818-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N2O5
InChI InChI=1S/C18H26N2O5/c1-5-12(2)15(16(21)19-13(3)17(22)24-4)20-18(23)25-11-14-9-7-6-8-10-14/h6-10,12-13,15H,5,11H2,1-4H3,(H,19,21)(H,20,23)/t12-,13-,15-/m0/s1
InChIKey BYXMOKFOFBAOOM-YDHLFZDLSA-N
Literature Reference DOI 10.1002/oms.1210240307
Molecular Weight 350.415 g/mol
SMILES N(C([C@@](NC(=O)OCc1ccccc1)([C@](CC)(C)[H])[H])=O)[C@](C(=O)OC)(C)[H]
SPLASH splash10-0006-9310000000-03e07f1b59cb1bca929b
Source of Spectrum O-24-180-4
Wiley ID 1341876