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3-[N-(Benzyloxycarbonyl)-(S)-phenylalanylamino]-5-methylhexan-2-ol
SpectraBase Compound ID C2SHL9i4PKK
InChI InChI=1S/C24H32N2O4/c1-17(2)14-21(18(3)27)25-23(28)22(15-19-10-6-4-7-11-19)26-24(29)30-16-20-12-8-5-9-13-20/h4-13,17-18,21-22,27H,14-16H2,1-3H3,(H,25,28)(H,26,29)/t18?,21?,22-/m0/s1
InChIKey OMXANMIVEXPWOE-UDJZJCJKSA-N
Mol Weight 412.5 g/mol
Molecular Formula C24H32N2O4
Exact Mass 412.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1W8OhZdPFi
Name 3-[N-(Benzyloxycarbonyl)-(S)-phenylalanylamino]-5-methylhexan-2-ol
Alternate Name(s) benzyl (1S)-1-benzyl-2-{[1-(1-hydroxyethyl)-3-methylbutyl]amino}-2-oxoethylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32N2O4
InChI InChI=1S/C24H32N2O4/c1-17(2)14-21(18(3)27)25-23(28)22(15-19-10-6-4-7-11-19)26-24(29)30-16-20-12-8-5-9-13-20/h4-13,17-18,21-22,27H,14-16H2,1-3H3,(H,25,28)(H,26,29)/t18?,21?,22-/m0/s1
InChIKey OMXANMIVEXPWOE-UDJZJCJKSA-N
Molecular Weight 412.530 g/mol
SMILES N(C([C@@](NC(=O)OCc1ccccc1)(Cc1ccccc1)[H])=O)C(C(O)C)CC(C)C
SPLASH splash10-0006-9000000000-e39975b9af923a0b987b
Source of Spectrum U-1996-346-21
Wiley ID 768172