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L-Lysine, N6-acetyl-N2-[N-[N-[N-(N2-acetyl-N,N,N2-trimethyl-L-asparaginyl)-N-methyl-L-phenylalanyl]-N-methyl-L-phenylalanyl]-N,1-dimethyl-L-tryptophyl]-N2,N6-dimethyl-, methyl ester

View entire compound with spectra: 1 MS (GC)

L-Lysine, N6-acetyl-N2-[N-[N-[N-(N2-acetyl-N,N,N2-trimethyl-L-asparaginyl)-N-methyl-L-phenylalanyl]-N-methyl-L-phenylalanyl]-N,1-dimethyl-L-tryptophyl]-N2,N6-dimethyl-, methyl ester
SpectraBase Compound ID G1TjbK8EJFt
InChI InChI=1S/C53H72N8O9/c1-36(62)55(5)30-22-21-29-43(53(69)70-12)58(8)51(67)46(33-40-35-56(6)42-28-20-19-27-41(40)42)61(11)50(66)45(32-39-25-17-14-18-26-39)59(9)49(65)44(31-38-23-15-13-16-24-38)60(10)52(68)47(57(7)37(2)63)34-48(64)54(3)4/h13-20,23-28,35,43-47H,21-22,29-34H2,1-12H3
InChIKey REASYYDDWBPCAI-UHFFFAOYSA-N
Mol Weight 965.2 g/mol
Molecular Formula C53H72N8O9
Exact Mass 964.542226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvmfeFxM7iF
Name L-Lysine, N6-acetyl-N2-[N-[N-[N-(N2-acetyl-N,N,N2-trimethyl-L-asparaginyl)-N-methyl-L-phenylalanyl]-N-methyl-L-phenylalanyl]-N,1-dimethyl-L-tryptophyl]-N2,N6-dimethyl-, methyl ester
Alternate Name(s) Methyl 5-[acetyl(methyl)amino]-17-(4-[acetyl(methyl)amino]butyl)-8,11-dibenzyl-2,7,10,13,16-pentamethyl-14-[(1-methyl-1H-indol-3-yl)methyl]-3,6,9,12,15-pentaoxo-2,7,10,13,16-pentaazaoctadecan-18-oate 6-[acetyl(methyl)amino]-2-[[2-[[2-[[2-[[2-[acetyl(methyl)amino]-4-(dimethylamino)-1,4-dioxobutyl]-methylamino]-1-oxo-3-phenylpropyl]-methylamino]-1-oxo-3-phenylpropyl]-methylamino]-3-(1-methyl-3-indolyl)-1-oxopropyl]-methylamino]hexanoic acid methyl ester 6-[acetyl(methyl)amino]-2-[[2-[[2-[[2-[[2-[acetyl(methyl)amino]-4-(dimethylamino)-4-keto-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-(1-methylindol-3-yl)propanoyl]-methyl-amino]hexanoic acid methyl ester Methyl 2-[[2-[[2-[[2-[[4-(dimethylamino)-2-[ethanoyl(methyl)amino]-4-oxidanylidene-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-(1-methylindol-3-yl)propanoyl]-methyl-amino]-6-[ethanoyl(methyl)amino]hexanoate Methyl 6-[acetyl(methyl)amino]-2-[[2-[[2-[[2-[[2-[acetyl(methyl)amino]-4-(dimethylamino)-4-oxo-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-(1-methylindol-3-yl)propanoyl]-methyl-amino]hexanoate
CAS Registry Number 56818-04-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C53H72N8O9
InChI InChI=1S/C53H72N8O9/c1-36(62)55(5)30-22-21-29-43(53(69)70-12)58(8)51(67)46(33-40-35-56(6)42-28-20-19-27-41(40)42)61(11)50(66)45(32-39-25-17-14-18-26-39)59(9)49(65)44(31-38-23-15-13-16-24-38)60(10)52(68)47(57(7)37(2)63)34-48(64)54(3)4/h13-20,23-28,35,43-47H,21-22,29-34H2,1-12H3
InChIKey REASYYDDWBPCAI-UHFFFAOYSA-N
Molecular Weight 965.206 g/mol
SMILES CC(N(C)CCCCC(C(=O)OC)N(C)C(C(Cc1c[n](C)c2ccccc12)N(C)C(C(Cc1ccccc1)N(C)C(C(Cc1ccccc1)N(C)C(C(CC(N(C)C)=O)N(C)C(C)=O)=O)=O)=O)=O)=O
SPLASH splash10-0a4m-0973100000-4518dc601eaa0c2c89c1
Source of Spectrum EP-7496-0-0
Wiley ID 1418291