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N-Bzloxycarbonylgly-S-(4-<2-meocarbonylet>-3-meocarbonylme-1-cf3-sul fonylpyrrol-2-ylme)-L-cyst einyl-L-phe bzl ester
SpectraBase Compound ID 4VQTalH1Os0
InChI InChI=1S/C42H45F3N4O12S2/c1-58-37(51)19-18-31-23-49(63(56,57)42(43,44)45)35(32(31)21-38(52)59-2)27-62-26-34(47-36(50)22-46-41(55)61-25-30-16-10-5-11-17-30)39(53)48-33(20-28-12-6-3-7-13-28)40(54)60-24-29-14-8-4-9-15-29/h3-17,23,33-34H,18-22,24-27H2,1-2H3,(H,46,55)(H,47,50)(H,48,53)
InChIKey SQXVQJYZCSUITF-UHFFFAOYSA-N
Mol Weight 919.0 g/mol
Molecular Formula C42H45F3N4O12S2
Exact Mass 918.24275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99p31LUINbk
Name N-Bzloxycarbonylgly-S-(4-<2-meocarbonylet>-3-meocarbonylme-1-cf3-sul fonylpyrrol-2-ylme)-L-cyst einyl-L-phe bzl ester
Comments PHENYL CH PEAKS AT 127.1-130.3 PPM, 2XCONH AND 3XCO2 PEAKS AT 168.9-170.7 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C42H45F3N4O12S2
InChI InChI=1S/C42H45F3N4O12S2/c1-58-37(51)19-18-31-23-49(63(56,57)42(43,44)45)35(32(31)21-38(52)59-2)27-62-26-34(47-36(50)22-46-41(55)61-25-30-16-10-5-11-17-30)39(53)48-33(20-28-12-6-3-7-13-28)40(54)60-24-29-14-8-4-9-15-29/h3-17,23,33-34H,18-22,24-27H2,1-2H3,(H,46,55)(H,47,50)(H,48,53)
InChIKey SQXVQJYZCSUITF-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