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Butyl 2-([2-(acetylamino)propanoyl]amino)-3-(4-hydroxyphenyl)propanoate
SpectraBase Compound ID JIkTik9MQy8
InChI InChI=1S/C18H26N2O5/c1-4-5-10-25-18(24)16(11-14-6-8-15(22)9-7-14)20-17(23)12(2)19-13(3)21/h6-9,12,16,22H,4-5,10-11H2,1-3H3,(H,19,21)(H,20,23)
InChIKey FOEHRUUKKUQROD-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 BnP3DFfIVSS
Name Butyl 2-([2-(acetylamino)propanoyl]amino)-3-(4-hydroxyphenyl)propanoate
Alternate Name(s) 2-(2-acetamidopropanoylamino)-3-(4-hydroxyphenyl)propionic acid butyl ester 2-[(2-acetamido-1-oxopropyl)amino]-3-(4-hydroxyphenyl)propanoic acid butyl ester Butyl 2-(2-acetamidopropanoylamino)-3-(4-hydroxyphenyl)propanoate L-Tyrosine, N-(N-acetyl-L-alanyl)-, butyl ester
CAS Registry Number 77536-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N2O5
InChI InChI=1S/C18H26N2O5/c1-4-5-10-25-18(24)16(11-14-6-8-15(22)9-7-14)20-17(23)12(2)19-13(3)21/h6-9,12,16,22H,4-5,10-11H2,1-3H3,(H,19,21)(H,20,23)
InChIKey FOEHRUUKKUQROD-UHFFFAOYSA-N
Molecular Weight 350.415 g/mol
SMILES Oc1ccc(CC(C(=O)OCCCC)NC(C(C)NC(C)=O)=O)cc1
SPLASH splash10-06s6-6900000000-415138dde8e2709cc15c
Source of Spectrum W5-0-0-0
Wiley ID 1341870