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BETA-BENZYL-(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPARTATE]-TRIESTER

Compound with spectra: 1 NMR

BETA-BENZYL-(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPARTATE]-TRIESTER
SpectraBase Compound ID Lfx6n9V1tlZ
InChI InChI=1S/C38H51N5O12/c1-38(2,3)55-37(51)42-28(21-25-13-9-7-10-14-25)34(48)39-20-19-30(44)40-27(35(49)52-5)17-18-32(46)43(4)23-31(45)41-29(36(50)53-6)22-33(47)54-24-26-15-11-8-12-16-26/h7-16,27-29H,17-24H2,1-6H3,(H,39,48)(H,40,44)(H,41,45)(H,42,51)/t27-,28+,29+/m1/s1
InChIKey OCKKLHGKBHUUPN-ULNSLHSMSA-N
Mol Weight 769.8 g/mol
Molecular Formula C38H51N5O12
Exact Mass 769.353422 g/mol
Enantiomer InChIKey OCKKLHGKBHUUPN-ZGIBFIJWSA-N

View Spectrum of BETA-BENZYL-(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPARTATE]-TRIESTER

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
(2R,3R)-DIETHYL-1-[N-(TERT.-BUTOXYCARBONYL)-(S)-PHENYLALANYL-(S)-ALANYL]-AZIRIDINE-2,3-DICARBOXYLATE
BOC-PHE-CYS(ME)-CYS(TRT)-OME
TERT.-BUTOXYCARBONYL-L-TRYPTOPHYLGLYCINE-BENZYLESTER
(S-(R*,R*))-N-ALPHA-(N-METHYL-N-((PHENYLMETHOXY)-CARBONYL)-PHENYLALANYL)-HISTIDINE-METHYLESTER
Z-Phenylalaninyl-proline tert-butyl ester
N-tert-BUTOXY-CARBONYL-L-2-METHOXY-PHENYLALANINE-L-N-tert-BUTOXY-CARBONYL-METHYLESTER
L-Glutamic acid, N-[N-[N-[S-(2-methoxy-2-oxoethyl)-N-(trifluoroacetyl)-L-cysteinyl]-O-methyl-L-tyrosyl]-L-phenylalanyl]-, dimethyl ester
(S-(R*,R*))-N-(2-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-3,3-DIPHENYL-1-OXO-PROPYL)-HISTIDINE-METHYLESTER
{2-Phenyl-1-[(pyridin-4-ylmethyl)carbamoyl]ethyl}carbamic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzyl ester
(1-Cyclohexylcarbamoyl-2-phenylethyl)carbamic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzyl ester
Title Journal or Book Year
Design and preparation of serine–threonine protein phosphatase inhibitors based upon the nodularin and microcystin toxin structures: Part 1. Evaluation of key inhibitory features and synthesis of a rationally stripped-down nodularin macrocycle Journal of the Chemical Society, Perkin Transactions 1 1997
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