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L-Tyrosinamide, N-acetyl-N-methylglycyl-N-methylglycyl-N,N,N.alpha.,o-tetramethyl-
SpectraBase Compound ID HfyK66zxeFx
InChI InChI=1S/C21H32N4O5/c1-15(26)23(4)13-19(27)24(5)14-20(28)25(6)18(21(29)22(2)3)12-16-8-10-17(30-7)11-9-16/h8-11,18H,12-14H2,1-7H3/t18-/m0/s1
InChIKey ASSVCQBSNTVSKD-SFHVURJKSA-N
Mol Weight 420.5 g/mol
Molecular Formula C21H32N4O5
Exact Mass 420.23727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BCTutwrf1fS
Name L-Tyrosinamide, N-acetyl-N-methylglycyl-N-methylglycyl-N,N,N.alpha.,o-tetramethyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.237270141 u
Formula C21H32N4O5
InChI InChI=1S/C21H32N4O5/c1-15(26)23(4)13-19(27)24(5)14-20(28)25(6)18(21(29)22(2)3)12-16-8-10-17(30-7)11-9-16/h8-11,18H,12-14H2,1-7H3/t18-/m0/s1
InChIKey ASSVCQBSNTVSKD-SFHVURJKSA-N
Molecular Weight 420.510 g/mol
SMILES [C@@](C(N(C)C)=O)(N(C(CN(C(CN(C(=O)C)C)=O)C)=O)C)(CC1=CC=C(C=C1)OC)[H]