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2-[N-(Benzyloxycarbonyl)-(S)-phenylalanylamino]-4-methylpentan-1-al
SpectraBase Compound ID 9GThnz3c3qt
InChI InChI=1S/C23H28N2O4/c1-17(2)13-20(15-26)24-22(27)21(14-18-9-5-3-6-10-18)25-23(28)29-16-19-11-7-4-8-12-19/h3-12,15,17,20-21H,13-14,16H2,1-2H3,(H,24,27)(H,25,28)/t20?,21-/m0/s1
InChIKey IMAAXFDGDRKJNX-LBAQZLPGSA-N
Mol Weight 396.49 g/mol
Molecular Formula C23H28N2O4
Exact Mass 396.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mI4m3S0cho
Name 2-[N-(Benzyloxycarbonyl)-(S)-phenylalanylamino]-4-methylpentan-1-al
Alternate Name(s) benzyl (1S)-1-benzyl-2-[(1-formyl-3-methylbutyl)amino]-2-oxoethylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N2O4
InChI InChI=1S/C23H28N2O4/c1-17(2)13-20(15-26)24-22(27)21(14-18-9-5-3-6-10-18)25-23(28)29-16-19-11-7-4-8-12-19/h3-12,15,17,20-21H,13-14,16H2,1-2H3,(H,24,27)(H,25,28)/t20?,21-/m0/s1
InChIKey IMAAXFDGDRKJNX-LBAQZLPGSA-N
Molecular Weight 396.487 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@](C(NC(C=O)CC(C)C)=O)(Cc1ccccc1)[H]
SPLASH splash10-0006-9000000000-435e722d381627448d9a
Source of Spectrum U-1996-344-9
Wiley ID 768181