L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester

SpectraBase Compound ID	Ah1eaWqBYae
InChI	InChI=1S/C30H45N5O6/c1-5-6-7-8-9-10-11-16-26(36)32-19-27(37)35-25(17-22-18-31-24-15-13-12-14-23(22)24)29(39)33-20(2)28(38)34-21(3)30(40)41-4/h12-15,18,20-21,25,31H,5-11,16-17,19H2,1-4H3,(H,32,36)(H,33,39)(H,34,38)(H,35,37)
InChIKey	MPMCVDLITHVKGR-UHFFFAOYSA-N Google Search
Mol Weight	571.7 g/mol
Molecular Formula	C30H45N5O6
Exact Mass	571.336984 g/mol

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SpectraBase Spectrum ID	AyGD2zNA8hF
Name	L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester
Alternate Name(s)	Methyl 8-(1H-indol-3-ylmethyl)-2,5-dimethyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazadocosan-1-oate 2-[2-[[2-[[2-(caprylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]propionic acid methyl ester 2-[[2-[[3-(1H-indol-3-yl)-1-oxo-2-[[1-oxo-2-(1-oxodecylamino)ethyl]amino]propyl]amino]-1-oxopropyl]amino]propanoic acid methyl ester Alanine, N-[N-[N-(N-decanoylglycyl)-L-tryptophyl]-L-alanyl]-, methyl ester, L- Methyl 2-[2-[[2-[2-(decanoylamino)ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]propanoate Methyl 2-[2-[[2-[[2-(decanoylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]propanoate
CAS Registry Number	19716-78-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H45N5O6
InChI	InChI=1S/C30H45N5O6/c1-5-6-7-8-9-10-11-16-26(36)32-19-27(37)35-25(17-22-18-31-24-15-13-12-14-23(22)24)29(39)33-20(2)28(38)34-21(3)30(40)41-4/h12-15,18,20-21,25,31H,5-11,16-17,19H2,1-4H3,(H,32,36)(H,33,39)(H,34,38)(H,35,37)
InChIKey	MPMCVDLITHVKGR-UHFFFAOYSA-N
Molecular Weight	571.719 g/mol
SMILES	N(CC(NC(C(NC(C(NC(C)C(=O)OC)=O)C)=O)Cc1c[nH]c2ccccc12)=O)C(CCCCCCCCC)=O
SPLASH	splash10-052o-0739210000-ac7bf1f36c25434c56f1
Source of Spectrum	O-6-13-2
Wiley ID	1407786