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l-Tryptophan, N-[N-(1-oxodecyl)-.beta.-alanyl]-, methyl ester
SpectraBase Compound ID 80U3Ery72Hi
InChI InChI=1S/C25H37N3O4/c1-3-4-5-6-7-8-9-14-23(29)26-16-15-24(30)28-22(25(31)32-2)17-19-18-27-21-13-11-10-12-20(19)21/h10-13,18,22,27H,3-9,14-17H2,1-2H3,(H,26,29)(H,28,30)
InChIKey ASRRMDLQLAJNSB-UHFFFAOYSA-N
Mol Weight 443.6 g/mol
Molecular Formula C25H37N3O4
Exact Mass 443.278407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3c3rprmq
Name l-Tryptophan, N-[N-(1-oxodecyl)-.beta.-alanyl]-, methyl ester
CAS Registry Number 15939-57-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37N3O4
InChI InChI=1S/C25H37N3O4/c1-3-4-5-6-7-8-9-14-23(29)26-16-15-24(30)28-22(25(31)32-2)17-19-18-27-21-13-11-10-12-20(19)21/h10-13,18,22,27H,3-9,14-17H2,1-2H3,(H,26,29)(H,28,30)
InChIKey ASRRMDLQLAJNSB-UHFFFAOYSA-N
Molecular Weight 443.588 g/mol
SMILES N(CCC(NC(Cc1c[nH]c2ccccc12)C(=O)OC)=O)C(CCCCCCCCC)=O
SPLASH splash10-0f89-0960000000-015aa61290049462087d
Source of Spectrum T-67-4612-0
Synonyms Methyl 2-([3-(decanoylamino)propanoyl]amino)-3-(1H-indol-3-yl)propanoate 2-[3-(caprylamino)propanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester 3-(1H-indol-3-yl)-2-[[1-oxo-3-(1-oxodecylamino)propyl]amino]propanoic acid methyl ester
Wiley ID 1385748