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Butyl 2-([2-(acetylamino)-3-(1H-indol-3-yl)propanoyl]amino)-3-(4-hydroxyphenyl)propanoate
SpectraBase Compound ID 8qycGuYNm3
InChI InChI=1S/C26H31N3O5/c1-3-4-13-34-26(33)24(14-18-9-11-20(31)12-10-18)29-25(32)23(28-17(2)30)15-19-16-27-22-8-6-5-7-21(19)22/h5-12,16,23-24,27,31H,3-4,13-15H2,1-2H3,(H,28,30)(H,29,32)
InChIKey MRBVTNFXDWDTFM-UHFFFAOYSA-N
Mol Weight 465.55 g/mol
Molecular Formula C26H31N3O5
Exact Mass 465.226371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYX922LFecB
Name Butyl 2-([2-(acetylamino)-3-(1H-indol-3-yl)propanoyl]amino)-3-(4-hydroxyphenyl)propanoate
Alternate Name(s) 2-[[2-acetamido-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid butyl ester 2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid butyl ester Butyl 2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate L-Tyrosine, N-(N-acetyl-L-tryptophyl)-, butyl ester
CAS Registry Number 77536-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31N3O5
InChI InChI=1S/C26H31N3O5/c1-3-4-13-34-26(33)24(14-18-9-11-20(31)12-10-18)29-25(32)23(28-17(2)30)15-19-16-27-22-8-6-5-7-21(19)22/h5-12,16,23-24,27,31H,3-4,13-15H2,1-2H3,(H,28,30)(H,29,32)
InChIKey MRBVTNFXDWDTFM-UHFFFAOYSA-N
Molecular Weight 465.550 g/mol
SMILES Oc1ccc(CC(C(=O)OCCCC)NC(C(Cc2c[nH]c3ccccc23)NC(C)=O)=O)cc1
SPLASH splash10-001i-2900000000-073cbe88572cb0077033
Source of Spectrum W5-0-0-0
Wiley ID 1391737