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B7Cfin5Ow8t
spectrumID
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B7Cfin5Ow8t
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Mass Spectrum (GC)
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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
Mol Weight 639.8 g/mol
Molecular Formula C35H53N5O6
Exact Mass 639.399584 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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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 © 2020-2025 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
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