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N-Benzyloxycarbonyl-A-benzyl-ester-D-L-A-amino-adipoyl-S-benzyl-L-cysteinyl-glycine benzyl ester
SpectraBase Compound ID EBLttymwly7
InChI InChI=1S/C40H43N3O8S/c44-36(23-13-22-34(39(47)50-26-31-16-7-2-8-17-31)43-40(48)51-27-32-18-9-3-10-19-32)42-35(29-52-28-33-20-11-4-12-21-33)38(46)41-24-37(45)49-25-30-14-5-1-6-15-30/h1-12,14-21,34-35H,13,22-29H2,(H,41,46)(H,42,44)(H,43,48)
InChIKey GHUZGNVQNKUQNA-UHFFFAOYSA-N
Mol Weight 725.9 g/mol
Molecular Formula C40H43N3O8S
Exact Mass 725.277087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ix43bL3KNIp
Name N-Benzyloxycarbonyl-A-benzyl-ester-D-L-A-amino-adipoyl-S-benzyl-L-cysteinyl-glycine benzyl ester
Comments 13C LABELLED AT C5, GLYCINE 15N LABELLED, ARYL CH SIGNALS AT 128.99-127.28 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H43N3O8S
InChI InChI=1S/C40H43N3O8S/c44-36(23-13-22-34(39(47)50-26-31-16-7-2-8-17-31)43-40(48)51-27-32-18-9-3-10-19-32)42-35(29-52-28-33-20-11-4-12-21-33)38(46)41-24-37(45)49-25-30-14-5-1-6-15-30/h1-12,14-21,34-35H,13,22-29H2,(H,41,46)(H,42,44)(H,43,48)
InChIKey GHUZGNVQNKUQNA-UHFFFAOYSA-N
Instrument Name Bruker AM-500
Literature Reference J.E. Baldwin, M. Bradley, R.M. Adlington, Tetrahedron 47, 457 (1991).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3