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Benzyl (Z,E)-4-methyl-3-(4'-.beta.-(((n'-((tert-butyloxy)-carbonyl)-l-prolyl)amino)ethyl)phenoxy)-2-pentenoate
SpectraBase Compound ID IgDILnUp9Jm
InChI InChI=1S/C31H40N2O6/c1-22(2)27(20-28(34)37-21-23-12-7-6-8-13-23)38-26-16-10-9-14-24(26)17-18-32-29(35)25-15-11-19-33(25)30(36)39-31(3,4)5/h6-10,12-14,16,20,22,25H,11,15,17-19,21H2,1-5H3,(H,32,35)/b27-20-/t25-/m0/s1
InChIKey TXEYHAWPJHLVKW-AZWVMBSWSA-N
Mol Weight 536.7 g/mol
Molecular Formula C31H40N2O6
Exact Mass 536.288637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmCtuNlnPpj
Name Benzyl (Z,E)-4-methyl-3-(4'-.beta.-(((n'-((tert-butyloxy)-carbonyl)-l-prolyl)amino)ethyl)phenoxy)-2-pentenoate
Alternate Name(s) tert-Butyl (2S)-2-({[2-(2-{[(1Z)-3-(benzyloxy)-1-isopropyl-3-oxo-1-propenyl]oxy}phenyl)ethyl]amino}carbonyl)-1-pyrrolidinecarboxylate
CAS Registry Number 75266-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H40N2O6
InChI InChI=1S/C31H40N2O6/c1-22(2)27(20-28(34)37-21-23-12-7-6-8-13-23)38-26-16-10-9-14-24(26)17-18-32-29(35)25-15-11-19-33(25)30(36)39-31(3,4)5/h6-10,12-14,16,20,22,25H,11,15,17-19,21H2,1-5H3,(H,32,35)/b27-20-/t25-/m0/s1
InChIKey TXEYHAWPJHLVKW-AZWVMBSWSA-N
Molecular Weight 536.669 g/mol
SMILES N(C([C@]1(N(C(OC(C)(C)C)=O)CCC1)[H])=O)CCc1c(O\C(=C/C(=O)OCc2ccccc2)C(C)C)cccc1
SPLASH splash10-00di-9003000000-5ba6dcfcda49cdc4a75e
Source of Spectrum J-45-4816-0
Wiley ID 1404099