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Butyl 2-([2-(acetylamino)-3-methylbutanoyl]amino)-3-(1H-imidazol-5-yl)propanoate
SpectraBase Compound ID DaesHcA20sL
InChI InChI=1S/C17H28N4O4/c1-5-6-7-25-17(24)14(8-13-9-18-10-19-13)21-16(23)15(11(2)3)20-12(4)22/h9-11,14-15H,5-8H2,1-4H3,(H,18,19)(H,20,22)(H,21,23)
InChIKey QHLBQODUNDCDOD-UHFFFAOYSA-N
Mol Weight 352.44 g/mol
Molecular Formula C17H28N4O4
Exact Mass 352.211055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pFGvKJpd0C
Name Butyl 2-([2-(acetylamino)-3-methylbutanoyl]amino)-3-(1H-imidazol-5-yl)propanoate
CAS Registry Number 77536-35-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28N4O4
InChI InChI=1S/C17H28N4O4/c1-5-6-7-25-17(24)14(8-13-9-18-10-19-13)21-16(23)15(11(2)3)20-12(4)22/h9-11,14-15H,5-8H2,1-4H3,(H,18,19)(H,20,22)(H,21,23)
InChIKey QHLBQODUNDCDOD-UHFFFAOYSA-N
Molecular Weight 352.435 g/mol
SMILES [nH]1c(CC(C(=O)OCCCC)NC(C(C(C)C)NC(C)=O)=O)cnc1
SPLASH splash10-03l3-9400000000-f7ddd1e843750fe112cd
Source of Spectrum W5-0-0-0
Synonyms 2-[(2-acetamido-3-methyl-1-oxobutyl)amino]-3-(1H-imidazol-5-yl)propanoic acid butyl ester 2-[(2-acetamido-3-methyl-butanoyl)amino]-3-(1H-imidazol-5-yl)propionic acid butyl ester Butyl 2-[(2-acetamido-3-methyl-butanoyl)amino]-3-(1H-imidazol-5-yl)propanoate L-Histidine, N-(N-acetyl-L-valyl)-, butyl ester
Wiley ID 1343082