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Histidinamide, N-[N,O-dimethyl-N-[N-(N-methylpyroglutamyl)prolyl]tyrosyl]-N,N',N',1-tetramethyl-
SpectraBase Compound ID 2X0IAyLAWRw
InChI InChI=1S/C32H45N7O6/c1-34(2)29(41)27(18-22-19-35(3)20-33-22)38(6)31(43)26(17-21-10-12-23(45-7)13-11-21)37(5)30(42)25-9-8-16-39(25)32(44)24-14-15-28(40)36(24)4/h10-13,19-20,24-27H,8-9,14-18H2,1-7H3
InChIKey QKAGDVMDPGZCME-UHFFFAOYSA-N
Mol Weight 623.8 g/mol
Molecular Formula C32H45N7O6
Exact Mass 623.343132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8rM1kJc1gT
Name Histidinamide, N-[N,O-dimethyl-N-[N-(N-methylpyroglutamyl)prolyl]tyrosyl]-N,N',N',1-tetramethyl-
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H45N7O6
InChI InChI=1S/C32H45N7O6/c1-34(2)29(41)27(18-22-19-35(3)20-33-22)38(6)31(43)26(17-21-10-12-23(45-7)13-11-21)37(5)30(42)25-9-8-16-39(25)32(44)24-14-15-28(40)36(24)4/h10-13,19-20,24-27H,8-9,14-18H2,1-7H3
InChIKey QKAGDVMDPGZCME-UHFFFAOYSA-N
Molecular Weight 623.755 g/mol
SMILES C(N(C(C(N(C)C(C(N(C)C)=O)Cc1nc[n](c1)C)=O)Cc1ccc(cc1)OC)C)(=O)C1N(CCC1)C(C1N(C)C(=O)CC1)=O
SPLASH splash10-0007-9720000000-fa8e455ada21adf7bfc9
Synonyms N-[2-[(2-(Dimethylamino)-1-[(1-methyl-1H-imidazol-4-yl)methyl]-2-oxoethyl)(methyl)amino]-1-(4-methoxybenzyl)-2-oxoethyl]-N-methyl-1-[(1-methyl-5-oxo-2-pyrrolidinyl)carbonyl]-2-pyrrolidinecarboxamide N-[1-[[1-(dimethylamino)-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-1-(1-methyl-5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
Wiley ID 1475927