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Glycine, N-[N-[N-[3-[(2-decanamidoethyl)thio]-N-decanoyl-L-alanyl]-3-phenyl-L-alanyl]-L-leucyl]-, methyl ester

View entire compound with spectra: 1 MS (GC)

Glycine, N-[N-[N-[3-[(2-decanamidoethyl)thio]-N-decanoyl-L-alanyl]-3-phenyl-L-alanyl]-L-leucyl]-, methyl ester
SpectraBase Compound ID 8PdgtWg7Cz5
InChI InChI=1S/C43H73N5O7S/c1-6-8-10-12-14-16-21-25-38(49)44-27-28-56-32-37(46-39(50)26-22-17-15-13-11-9-7-2)43(54)48-36(30-34-23-19-18-20-24-34)42(53)47-35(29-33(3)4)41(52)45-31-40(51)55-5/h18-20,23-24,33,35-37H,6-17,21-22,25-32H2,1-5H3,(H,44,49)(H,45,52)(H,46,50)(H,47,53)(H,48,54)
InChIKey BAJSCRKNYYYPLM-UHFFFAOYSA-N
Mol Weight 804.1 g/mol
Molecular Formula C43H73N5O7S
Exact Mass 803.523071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vhx8tsV8GP
Name Glycine, N-[N-[N-[3-[(2-decanamidoethyl)thio]-N-decanoyl-L-alanyl]-3-phenyl-L-alanyl]-L-leucyl]-, methyl ester
Alternate Name(s) Methyl 8-benzyl-11-(decanoylamino)-5-isobutyl-4,7,10,17-tetraoxo-13-thia-3,6,9,16-tetraazahexacosan-1-oate 2-[[2-[[2-[[2-(caprylamino)-3-[2-(caprylamino)ethylthio]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]acetic acid methyl ester 2-[[4-methyl-1-oxo-2-[[1-oxo-2-[[1-oxo-2-(1-oxodecylamino)-3-[2-(1-oxodecylamino)ethylthio]propyl]amino]-3-phenylpropyl]amino]pentyl]amino]acetic acid methyl ester Methyl 2-[[2-[[2-[[2-(decanoylamino)-3-[2-(decanoylamino)ethylsulfanyl]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]acetate Methyl 2-[[2-[[2-[[2-(decanoylamino)-3-[2-(decanoylamino)ethylsulfanyl]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoate
CAS Registry Number 19729-26-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H73N5O7S
InChI InChI=1S/C43H73N5O7S/c1-6-8-10-12-14-16-21-25-38(49)44-27-28-56-32-37(46-39(50)26-22-17-15-13-11-9-7-2)43(54)48-36(30-34-23-19-18-20-24-34)42(53)47-35(29-33(3)4)41(52)45-31-40(51)55-5/h18-20,23-24,33,35-37H,6-17,21-22,25-32H2,1-5H3,(H,44,49)(H,45,52)(H,46,50)(H,47,53)(H,48,54)
InChIKey BAJSCRKNYYYPLM-UHFFFAOYSA-N
Molecular Weight 804.145 g/mol
SMILES N(CCSCC(C(NC(C(NC(C(NCC(=O)OC)=O)CC(C)C)=O)Cc1ccccc1)=O)NC(CCCCCCCCC)=O)C(CCCCCCCCC)=O
SPLASH splash10-00fr-0590000000-41a88158c47e7f937644
Source of Spectrum T-68-5946-0
Wiley ID 1417202