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L-Tyrosinamide, N-acetyl-N-methyl-L-alanyl-N,N,N2-trimethyl-L-glutaminyl-N,N,N2-trimethyl-L-glutaminyl-N-methylglycyl-N-methylglycyl-N,N,N.alpha.,O-tetram ethyl-
SpectraBase Compound ID B88PwVxiFtM
InChI InChI=1S/C41H67N9O10/c1-27(47(11)28(2)51)38(56)49(13)32(21-23-35(53)43(5)6)41(59)50(14)31(20-22-34(52)42(3)4)40(58)46(10)25-36(54)45(9)26-37(55)48(12)33(39(57)44(7)8)24-29-16-18-30(60-15)19-17-29/h16-19,27,31-33H,20-26H2,1-15H3
InChIKey PJBPKWCASHIMRH-UHFFFAOYSA-N
Mol Weight 846.0 g/mol
Molecular Formula C41H67N9O10
Exact Mass 845.501089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27NlfFT9Vo
Name L-Tyrosinamide, N-acetyl-N-methyl-L-alanyl-N,N,N2-trimethyl-L-glutaminyl-N,N,N2-trimethyl-L-glutaminyl-N-methylglycyl-N-methylglycyl-N,N,N.alpha.,O-tetram ethyl-
CAS Registry Number 60030-60-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H67N9O10
InChI InChI=1S/C41H67N9O10/c1-27(47(11)28(2)51)38(56)49(13)32(21-23-35(53)43(5)6)41(59)50(14)31(20-22-34(52)42(3)4)40(58)46(10)25-36(54)45(9)26-37(55)48(12)33(39(57)44(7)8)24-29-16-18-30(60-15)19-17-29/h16-19,27,31-33H,20-26H2,1-15H3
InChIKey PJBPKWCASHIMRH-UHFFFAOYSA-N
Molecular Weight 846.040 g/mol
SMILES C(N(C(C(N(CC(N(CC(N(C(C(N(C)C)=O)Cc1ccc(cc1)OC)C)=O)C)=O)C)=O)CCC(N(C)C)=O)C)(C(N(C(C(N(C(=O)C)C)C)=O)C)CCC(N(C)C)=O)=O
SPLASH splash10-00ke-1593410000-945dc4ecf19e79f02935
Source of Spectrum KO-1-185-6
Synonyms N,O-permethyl-N-acetylalanylglutaminylglutaminylglycylglycyltyrosinamide N-[3-(dimethylcarbamoyl)-1-({[({[1-(dimethylcarbamoyl)-2-(4-methoxyphenyl)ethyl](methyl)carbamoyl}methyl)(methyl)carbamoyl]methyl}(methyl)carbamoyl)propyl]-N',N',N''-trimethyl-2-[N-methyl-2-(N-methylacetamido)propanamido]pentanediamide
Wiley ID 1417659