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3-[N-(Benzyloxycarbonyl)-(S)-phenylalanylamino]-4-methylpentan-2-ol
SpectraBase Compound ID FXuUTwMfboh
InChI InChI=1S/C23H30N2O4/c1-16(2)21(17(3)26)25-22(27)20(14-18-10-6-4-7-11-18)24-23(28)29-15-19-12-8-5-9-13-19/h4-13,16-17,20-21,26H,14-15H2,1-3H3,(H,24,28)(H,25,27)/t17?,20-,21?/m0/s1
InChIKey IJXZDIVGZNDQOL-SGDIKTSBSA-N
Mol Weight 398.5 g/mol
Molecular Formula C23H30N2O4
Exact Mass 398.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBDj95x4A9h
Name 3-[N-(Benzyloxycarbonyl)-(S)-phenylalanylamino]-4-methylpentan-2-ol
Alternate Name(s) benzyl (1S)-1-benzyl-2-[(2-hydroxy-1-isopropylpropyl)amino]-2-oxoethylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N2O4
InChI InChI=1S/C23H30N2O4/c1-16(2)21(17(3)26)25-22(27)20(14-18-10-6-4-7-11-18)24-23(28)29-15-19-12-8-5-9-13-19/h4-13,16-17,20-21,26H,14-15H2,1-3H3,(H,24,28)(H,25,27)/t17?,20-,21?/m0/s1
InChIKey IJXZDIVGZNDQOL-SGDIKTSBSA-N
Molecular Weight 398.503 g/mol
SMILES N(C([C@@](NC(=O)OCc1ccccc1)(Cc1ccccc1)[H])=O)C(C(O)C)C(C)C
SPLASH splash10-0006-9000000000-76b1ef4ea023249c933d
Source of Spectrum U-1996-346-21
Wiley ID 768173