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Butyl 2-([2-(acetylamino)-3-(4-hydroxyphenyl)propanoyl]amino)propanoate
SpectraBase Compound ID H50hrKt5ML5
InChI InChI=1S/C18H26N2O5/c1-4-5-10-25-18(24)12(2)19-17(23)16(20-13(3)21)11-14-6-8-15(22)9-7-14/h6-9,12,16,22H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,21)
InChIKey KIBAADGNDGISGM-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C18H26N2O5
Exact Mass 350.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSUlKY9cxnX
Name Butyl 2-([2-(acetylamino)-3-(4-hydroxyphenyl)propanoyl]amino)propanoate
Alternate Name(s) 2-[[2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]propanoic acid butyl ester 2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]propionic acid butyl ester Butyl 2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]propanoate L-Alanine, N-(N-acetyl-L-tyrosyl)-, butyl ester
CAS Registry Number 77536-37-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N2O5
InChI InChI=1S/C18H26N2O5/c1-4-5-10-25-18(24)12(2)19-17(23)16(20-13(3)21)11-14-6-8-15(22)9-7-14/h6-9,12,16,22H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,21)
InChIKey KIBAADGNDGISGM-UHFFFAOYSA-N
Molecular Weight 350.415 g/mol
SMILES N(C(C)C(=O)OCCCC)C(C(Cc1ccc(cc1)O)NC(C)=O)=O
SPLASH splash10-0005-4910000000-f286568d7b326e371f10
Source of Spectrum W5-0-0-0
Wiley ID 1341871