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Butyl 2-[(([2-(acetylamino)-4-methylpentanoyl]amino)acetyl)amino]-3-phenylpropanoate
SpectraBase Compound ID GfJrbIEjvOT
InChI InChI=1S/C23H35N3O5/c1-5-6-12-31-23(30)20(14-18-10-8-7-9-11-18)26-21(28)15-24-22(29)19(13-16(2)3)25-17(4)27/h7-11,16,19-20H,5-6,12-15H2,1-4H3,(H,24,29)(H,25,27)(H,26,28)
InChIKey JSHLHMFKHFQUPQ-UHFFFAOYSA-N
Mol Weight 433.5 g/mol
Molecular Formula C23H35N3O5
Exact Mass 433.257671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4eaulESVI9W
Name Butyl 2-[(([2-(acetylamino)-4-methylpentanoyl]amino)acetyl)amino]-3-phenylpropanoate
CAS Registry Number 77536-39-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H35N3O5
InChI InChI=1S/C23H35N3O5/c1-5-6-12-31-23(30)20(14-18-10-8-7-9-11-18)26-21(28)15-24-22(29)19(13-16(2)3)25-17(4)27/h7-11,16,19-20H,5-6,12-15H2,1-4H3,(H,24,29)(H,25,27)(H,26,28)
InChIKey JSHLHMFKHFQUPQ-UHFFFAOYSA-N
Molecular Weight 433.549 g/mol
SMILES N(C(Cc1ccccc1)C(=O)OCCCC)C(CNC(C(CC(C)C)NC(C)=O)=O)=O
SPLASH splash10-004r-6920000000-5c2c128c4845debd2fea
Source of Spectrum W5-0-0-0
Synonyms 2-[[2-[(2-acetamido-4-methyl-1-oxopentyl)amino]-1-oxoethyl]amino]-3-phenylpropanoic acid butyl ester 2-[[2-[(2-acetamido-4-methyl-pentanoyl)amino]acetyl]amino]-3-phenyl-propionic acid butyl ester Butyl 2-[2-[(2-acetamido-4-methyl-pentanoyl)amino]ethanoylamino]-3-phenyl-propanoate Butyl 2-[[2-[(2-acetamido-4-methyl-pentanoyl)amino]acetyl]amino]-3-phenyl-propanoate L-Phenylalanine, N-[N-(N-acetyl-L-leucyl)glycyl]-, butyl ester
Wiley ID 1382667