DL-Leucine, N-[N-[1-[N-(1-oxodecyl)glycyl]-DL-prolyl]-DL-tryptophyl]-, methyl ester

SpectraBase Compound ID	5v7oGdHJYDo
InChI	InChI=1S/C35H53N5O6/c1-5-6-7-8-9-10-11-18-31(41)37-23-32(42)40-19-14-17-30(40)34(44)38-28(21-25-22-36-27-16-13-12-15-26(25)27)33(43)39-29(20-24(2)3)35(45)46-4/h12-13,15-16,22,24,28-30,36H,5-11,14,17-21,23H2,1-4H3,(H,37,41)(H,38,44)(H,39,43)
InChIKey	FWZUUNAMCYNOMK-UHFFFAOYSA-N Google Search
Mol Weight	639.8 g/mol
Molecular Formula	C35H53N5O6
Exact Mass	639.399584 g/mol

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SpectraBase Spectrum ID	B7Cfin5Ow8t
Name	DL-Leucine, N-[N-[1-[N-(1-oxodecyl)glycyl]-DL-prolyl]-DL-tryptophyl]-, methyl ester
CAS Registry Number	55822-84-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C35H53N5O6
InChI	InChI=1S/C35H53N5O6/c1-5-6-7-8-9-10-11-18-31(41)37-23-32(42)40-19-14-17-30(40)34(44)38-28(21-25-22-36-27-16-13-12-15-26(25)27)33(43)39-29(20-24(2)3)35(45)46-4/h12-13,15-16,22,24,28-30,36H,5-11,14,17-21,23H2,1-4H3,(H,37,41)(H,38,44)(H,39,43)
InChIKey	FWZUUNAMCYNOMK-UHFFFAOYSA-N
Molecular Weight	639.838 g/mol
SMILES	N(CC(N1CCCC1C(NC(C(NC(CC(C)C)C(=O)OC)=O)Cc1c[nH]c2ccccc12)=O)=O)C(CCCCCCCCC)=O
SPLASH	splash10-01q9-0911000000-a7a1624655655f66def2
Source of Spectrum	T-67-5141-0
Synonyms	Methyl 2-([2-[((1-[(decanoylamino)acetyl]-2-pyrrolidinyl)carbonyl)amino]-3-(1H-indol-3-yl)propanoyl]amino)-4-methylpentanoate 2-[[2-[[1-[2-(caprylamino)acetyl]prolyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-valeric acid methyl ester 2-[[3-(1H-indol-3-yl)-1-oxo-2-[[oxo-[1-[1-oxo-2-(1-oxodecylamino)ethyl]-2-pyrrolidinyl]methyl]amino]propyl]amino]-4-methylpentanoic acid methyl ester Methyl 2-[[2-[[1-[2-(decanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoate Methyl 2-[[2-[[1-[2-(decanoylamino)ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoate
Wiley ID	1412562