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Methyl 2-[(2-hydroxypentanoyl)amino]-3-phenylpropanoate
SpectraBase Compound ID CTn411RTzeZ
InChI InChI=1S/C15H21NO4/c1-3-7-13(17)14(18)16-12(15(19)20-2)10-11-8-5-4-6-9-11/h4-6,8-9,12-13,17H,3,7,10H2,1-2H3,(H,16,18)
InChIKey KZVHZVXMQZXFHI-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C15H21NO4
Exact Mass 279.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6LIvz4U4nu
Name Methyl 2-[(2-hydroxypentanoyl)amino]-3-phenylpropanoate
CAS Registry Number 112681-36-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO4
InChI InChI=1S/C15H21NO4/c1-3-7-13(17)14(18)16-12(15(19)20-2)10-11-8-5-4-6-9-11/h4-6,8-9,12-13,17H,3,7,10H2,1-2H3,(H,16,18)
InChIKey KZVHZVXMQZXFHI-UHFFFAOYSA-N
Molecular Weight 279.336 g/mol
SMILES N(C(C(CCC)O)=O)C(Cc1ccccc1)C(=O)OC
SPLASH splash10-03dr-6900000000-26505620eee771cd9964
Synonyms 2-(2-hydroxypentanoylamino)-3-phenyl-propionic acid methyl ester 2-[(2-hydroxy-1-oxopentyl)amino]-3-phenylpropanoic acid methyl ester l-Phenylalanine, N-(2-hydroxy-1-oxopentyl)-, methyl ester, (S)- Methyl 2-(2-oxidanylpentanoylamino)-3-phenyl-propanoate Methyl 2-(2-hydroxypentanoylamino)-3-phenylpropanoate
Wiley ID 1485254