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1-Ethyl-5-[(1R,2S,5R)-8-Phenylmenthyl](2S,3S)-2-amino-3-phenylglutarate
SpectraBase Compound ID CURPiODJ8qU
InChI InChI=1S/C29H39NO4/c1-5-33-28(32)27(30)23(21-12-8-6-9-13-21)19-26(31)34-25-18-20(2)16-17-24(25)29(3,4)22-14-10-7-11-15-22/h6-15,20,23-25,27H,5,16-19,30H2,1-4H3/t20-,23+,24?,25?,27+/m1/s1
InChIKey GKAJFRLGNINSTB-HVUOVQTESA-N
Mol Weight 465.6 g/mol
Molecular Formula C29H39NO4
Exact Mass 465.287909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PjCMdBgPli
Name 1-Ethyl-5-[(1R,2S,5R)-8-Phenylmenthyl](2S,3S)-2-amino-3-phenylglutarate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H39NO4
InChI InChI=1S/C29H39NO4/c1-5-33-28(32)27(30)23(21-12-8-6-9-13-21)19-26(31)34-25-18-20(2)16-17-24(25)29(3,4)22-14-10-7-11-15-22/h6-15,20,23-25,27H,5,16-19,30H2,1-4H3/t20-,23+,24?,25?,27+/m1/s1
InChIKey GKAJFRLGNINSTB-HVUOVQTESA-N
Molecular Weight 465.634 g/mol
SMILES N[C@@]([C@@](CC(OC1C(C(c2ccccc2)(C)C)CC[C@@](C)(C1)[H])=O)(c1ccccc1)[H])(C(=O)OCC)[H]
SPLASH splash10-02t9-0900000000-921ba05b2481ab414f0f
Source of Spectrum J-64-6562-10
Synonyms 1-Ethyl 5-[(5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl](2S,3S)-2-amino-3-phenylpentanedioate
Wiley ID 1530973