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N-Benzyloxycarbonyl-o-benzyl-L-tyrosine benzyl ester
SpectraBase Compound ID 1he6Q1Wk6RJ
InChI InChI=1S/C31H29NO5/c33-30(36-22-26-12-6-2-7-13-26)29(32-31(34)37-23-27-14-8-3-9-15-27)20-24-16-18-28(19-17-24)35-21-25-10-4-1-5-11-25/h1-19,29H,20-23H2,(H,32,34)/t29-/m0/s1
InChIKey DLWUGYXXBQGKMD-LJAQVGFWSA-N
Mol Weight 495.58 g/mol
Molecular Formula C31H29NO5
Exact Mass 495.204573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ewyb3zJTxj
Name N-Benzyloxycarbonyl-o-benzyl-L-tyrosine benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 495.204573033 u
Formula C31H29NO5
InChI InChI=1S/C31H29NO5/c33-30(36-22-26-12-6-2-7-13-26)29(32-31(34)37-23-27-14-8-3-9-15-27)20-24-16-18-28(19-17-24)35-21-25-10-4-1-5-11-25/h1-19,29H,20-23H2,(H,32,34)/t29-/m0/s1
InChIKey DLWUGYXXBQGKMD-LJAQVGFWSA-N
Molecular Weight 495.575 g/mol
SMILES C(N[C@](C(OCC=1C=CC=CC1)=O)(CC1=CC=C(OCC2=CC=CC=C2)C=C1)[H])(=O)OCC=1C=CC=CC1