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4-BENZYL-L-ASPARTYL-5-BENZYL-L-GLUTAMYL-O-BENZYL-L-THREONINE-METHYLESTER
SpectraBase Compound ID Ix4sahq46QK
InChI InChI=1S/C35H41N3O9/c1-24(45-21-25-12-6-3-7-13-25)32(35(43)44-2)38-34(42)29(18-19-30(39)46-22-26-14-8-4-9-15-26)37-33(41)28(36)20-31(40)47-23-27-16-10-5-11-17-27/h3-17,24,28-29,32H,18-23,36H2,1-2H3,(H,37,41)(H,38,42)
InChIKey VDMSDMRMDSBTPF-UHFFFAOYSA-N
Mol Weight 647.7 g/mol
Molecular Formula C35H41N3O9
Exact Mass 647.28428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtNMJtUVWkI
Name 4-BENZYL-L-ASPARTYL-5-BENZYL-L-GLUTAMYL-O-BENZYL-L-THREONINE-METHYLESTER
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H41N3O9
InChI InChI=1S/C35H41N3O9/c1-24(45-21-25-12-6-3-7-13-25)32(35(43)44-2)38-34(42)29(18-19-30(39)46-22-26-14-8-4-9-15-26)37-33(41)28(36)20-31(40)47-23-27-16-10-5-11-17-27/h3-17,24,28-29,32H,18-23,36H2,1-2H3,(H,37,41)(H,38,42)
InChIKey VDMSDMRMDSBTPF-UHFFFAOYSA-N
Literature Reference Author T.KANEMITSU,Y.OGIHARA,T.TAKEDA
Literature Reference Citation CHEM.PHARM.BULL.,45,643(1997)
Literature Reference DOI 10.1248/cpb.45.643
Molecular Weight 647.725 g/mol
Solvent CDCl3
Source File Reference UWVN28793