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(-)-(S)-2-methyl-2-{3-phenyl-2-[(tetrahydro-2H-pyran-2-yl)oxy]-propionamido}propionic acid
SpectraBase Compound ID JqzMWz5hIYt
InChI InChI=1S/C18H25NO5/c1-18(2,17(21)22)19-16(20)14(12-13-8-4-3-5-9-13)24-15-10-6-7-11-23-15/h3-5,8-9,14-15H,6-7,10-12H2,1-2H3,(H,19,20)(H,21,22)/t14?,15-/m0/s1
InChIKey RLWPELGVUIPTPH-LOACHALJSA-N
Mol Weight 335.4 g/mol
Molecular Formula C18H25NO5
Exact Mass 335.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HSuI9CQOLh
Name (-)-(S)-2-methyl-2-{3-phenyl-2-[(tetrahydro-2H-pyran-2-yl)oxy]-propionamido}propionic acid
CAS Registry Number 128858-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO5
InChI InChI=1S/C18H25NO5/c1-18(2,17(21)22)19-16(20)14(12-13-8-4-3-5-9-13)24-15-10-6-7-11-23-15/h3-5,8-9,14-15H,6-7,10-12H2,1-2H3,(H,19,20)(H,21,22)/t14?,15-/m0/s1
InChIKey RLWPELGVUIPTPH-LOACHALJSA-N
Molecular Weight 335.400 g/mol
SMILES N(C(C(O[C@@]1(OCCCC1)[H])Cc1ccccc1)=O)C(C(=O)O)(C)C
SPLASH splash10-000l-9100000000-180d4d3e9fb3497c29cd
Source of Spectrum H-73-227-19
Synonyms 2-Methyl-N-{3-phenyl-2-[(2S)-tetrahydro-2H-pyran-2-yloxy]propanoyl}alanine
Wiley ID 1331676