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Butyl 2-([2-(acetylamino)-3-phenylpropanoyl]amino)-4-methylpentanoate
SpectraBase Compound ID Isi16bLNqe0
InChI InChI=1S/C21H32N2O4/c1-5-6-12-27-21(26)19(13-15(2)3)23-20(25)18(22-16(4)24)14-17-10-8-7-9-11-17/h7-11,15,18-19H,5-6,12-14H2,1-4H3,(H,22,24)(H,23,25)
InChIKey XNJUXONANNTDDP-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C21H32N2O4
Exact Mass 376.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQHx4id2wDF
Name Butyl 2-([2-(acetylamino)-3-phenylpropanoyl]amino)-4-methylpentanoate
Alternate Name(s) 2-[(2-acetamido-1-oxo-3-phenylpropyl)amino]-4-methylpentanoic acid butyl ester 2-[(2-acetamido-3-phenyl-propanoyl)amino]-4-methyl-valeric acid butyl ester Butyl 2-[(2-acetamido-3-phenyl-propanoyl)amino]-4-methyl-pentanoate l-Leucine, N-(N-acetyl-l-phenylalanyl)-, butyl ester
CAS Registry Number 77536-50-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32N2O4
InChI InChI=1S/C21H32N2O4/c1-5-6-12-27-21(26)19(13-15(2)3)23-20(25)18(22-16(4)24)14-17-10-8-7-9-11-17/h7-11,15,18-19H,5-6,12-14H2,1-4H3,(H,22,24)(H,23,25)
InChIKey XNJUXONANNTDDP-UHFFFAOYSA-N
Molecular Weight 376.497 g/mol
SMILES N(C(CC(C)C)C(=O)OCCCC)C(C(Cc1ccccc1)NC(C)=O)=O
SPLASH splash10-0076-7920000000-b9ac06a3ec67c15300c3
Source of Spectrum W5-0-0-0
Wiley ID 1357778