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Butyl 2-([2-(acetylamino)-3-(1H-indol-3-yl)propanoyl]amino)-4-methylpentanoate
SpectraBase Compound ID 8sXHeGewuSd
InChI InChI=1S/C23H33N3O4/c1-5-6-11-30-23(29)21(12-15(2)3)26-22(28)20(25-16(4)27)13-17-14-24-19-10-8-7-9-18(17)19/h7-10,14-15,20-21,24H,5-6,11-13H2,1-4H3,(H,25,27)(H,26,28)
InChIKey HUNRTEOZDNFWOF-UHFFFAOYSA-N
Mol Weight 415.5 g/mol
Molecular Formula C23H33N3O4
Exact Mass 415.247107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWuLz7c6nsE
Name Butyl 2-([2-(acetylamino)-3-(1H-indol-3-yl)propanoyl]amino)-4-methylpentanoate
Alternate Name(s) 2-[[2-acetamido-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methylpentanoic acid butyl ester 2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-valeric acid butyl ester Butyl 2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoate L-Leucine, N-(N-acetyl-L-tryptophyl)-, butyl ester
CAS Registry Number 77536-53-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33N3O4
InChI InChI=1S/C23H33N3O4/c1-5-6-11-30-23(29)21(12-15(2)3)26-22(28)20(25-16(4)27)13-17-14-24-19-10-8-7-9-18(17)19/h7-10,14-15,20-21,24H,5-6,11-13H2,1-4H3,(H,25,27)(H,26,28)
InChIKey HUNRTEOZDNFWOF-UHFFFAOYSA-N
Molecular Weight 415.534 g/mol
SMILES N(C(CC(C)C)C(=O)OCCCC)C(C(Cc1c[nH]c2ccccc12)NC(C)=O)=O
SPLASH splash10-001i-3900000000-ff203d2e57b2b4dee5b0
Source of Spectrum W5-0-0-0
Wiley ID 1376018