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N-Benzyloxycarbonylgly-S-(5-formyl-4-<2-meo-carbonyl-et>-3-meo-carbonyl-me-pyrrol-2-ylme)-L-cysteinyl-L-phe benzyl ester
SpectraBase Compound ID AUZYopwotuH
InChI InChI=1S/C42H46N4O11S/c1-54-38(49)19-18-31-32(21-39(50)55-2)35(44-34(31)23-47)26-58-27-36(45-37(48)22-43-42(53)57-25-30-16-10-5-11-17-30)40(51)46-33(20-28-12-6-3-7-13-28)41(52)56-24-29-14-8-4-9-15-29/h3-17,23,33,36,44H,18-22,24-27H2,1-2H3,(H,43,53)(H,45,48)(H,46,51)
InChIKey XIDOYHGAVQJWTP-UHFFFAOYSA-N
Mol Weight 814.9 g/mol
Molecular Formula C42H46N4O11S
Exact Mass 814.288379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jan0Uaiq8m
Name N-Benzyloxycarbonylgly-S-(5-formyl-4-<2-meo-carbonyl-et>-3-meo-carbonyl-me-pyrrol-2-ylme)-L-cysteinyl-L-phe benzyl ester
Comments PHENYL PEAKS AT 126.9-129.1 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C42H46N4O11S
InChI InChI=1S/C42H46N4O11S/c1-54-38(49)19-18-31-32(21-39(50)55-2)35(44-34(31)23-47)26-58-27-36(45-37(48)22-43-42(53)57-25-30-16-10-5-11-17-30)40(51)46-33(20-28-12-6-3-7-13-28)41(52)56-24-29-14-8-4-9-15-29/h3-17,23,33,36,44H,18-22,24-27H2,1-2H3,(H,43,53)(H,45,48)(H,46,51)
InChIKey XIDOYHGAVQJWTP-UHFFFAOYSA-N
Instrument Name Bruker AM-400
Literature Reference A.D. Miller, F.J. Leeper, A.R. Battersby, J. Chem. Soc. Perkin I 1943 (1989).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3