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N,N'-di-Carbobenzyloxy-cystine, dibenzyl(ester)

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N,N'-di-Carbobenzyloxy-cystine, dibenzyl(ester)
SpectraBase Compound ID 4P6B9ZmLSjz
InChI InChI=1S/C36H36N2O8S2/c39-33(43-21-27-13-5-1-6-14-27)31(37-35(41)45-23-29-17-9-3-10-18-29)25-47-48-26-32(34(40)44-22-28-15-7-2-8-16-28)38-36(42)46-24-30-19-11-4-12-20-30/h1-20,31-32H,21-26H2,(H,37,41)(H,38,42)
InChIKey PHTPIWBYYXLFQD-UHFFFAOYSA-N
Mol Weight 688.8 g/mol
Molecular Formula C36H36N2O8S2
Exact Mass 688.191308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nxLk5MsWAo
Name N,N'-di-Carbobenzyloxy-cystine, dibenzyl(ester)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 688.191308467 u
Formula C36H36N2O8S2
InChI InChI=1S/C36H36N2O8S2/c39-33(43-21-27-13-5-1-6-14-27)31(37-35(41)45-23-29-17-9-3-10-18-29)25-47-48-26-32(34(40)44-22-28-15-7-2-8-16-28)38-36(42)46-24-30-19-11-4-12-20-30/h1-20,31-32H,21-26H2,(H,37,41)(H,38,42)
InChIKey PHTPIWBYYXLFQD-UHFFFAOYSA-N
Molecular Weight 688.810 g/mol
SMILES C(OC(C(CSSCC(C(OCC1=CC=CC=C1)=O)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)=O)C1=CC=CC=C1