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METHYL-[[N-TERT.-BUTYLOXYCARBONYL-(S)-PROLYL-(S)-VALINYL-AMINO]-(S/R)-3,3-DIMETHYL-BUTANE-THIOAMIDO]-(S)-3,3-DIMETHYL-BUTYRATE

View entire compound with spectra: 1 NMR

METHYL-[[N-TERT.-BUTYLOXYCARBONYL-(S)-PROLYL-(S)-VALINYL-AMINO]-(S/R)-3,3-DIMETHYL-BUTANE-THIOAMIDO]-(S)-3,3-DIMETHYL-BUTYRATE
SpectraBase Compound ID Fw1qw4Jv7ON
InChI InChI=1S/2C28H50N4O6S/c2*1-16(2)18(29-21(33)17-14-13-15-32(17)25(36)38-28(9,10)11)22(34)30-19(26(3,4)5)23(39)31-20(24(35)37-12)27(6,7)8/h2*16-20H,13-15H2,1-12H3,(H,29,33)(H,30,34)(H,31,39)/t17-,18-,19+,20+;17-,18-,19-,20+/m00/s1
InChIKey HNQKELDLKXHGLA-UOQPBXJRSA-N
Mol Weight 1141.6 g/mol
Molecular Formula C56H100N8O12S2
Exact Mass 1140.690213 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gz3QD5taqfc
Name METHYL-[[N-TERT.-BUTYLOXYCARBONYL-(S)-PROLYL-(S)-VALINYL-AMINO]-(S/R)-3,3-DIMETHYL-BUTANE-THIOAMIDO]-(S)-3,3-DIMETHYL-BUTYRATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H100N8O12S2
InChI InChI=1S/2C28H50N4O6S/c2*1-16(2)18(29-21(33)17-14-13-15-32(17)25(36)38-28(9,10)11)22(34)30-19(26(3,4)5)23(39)31-20(24(35)37-12)27(6,7)8/h2*16-20H,13-15H2,1-12H3,(H,29,33)(H,30,34)(H,31,39)/t17-,18-,19+,20+;17-,18-,19-,20+/m00/s1
InChIKey HNQKELDLKXHGLA-UOQPBXJRSA-N
Literature Reference Author S.ACKERMANN,H.G.LERCHEN,D.HAEBICH,A.ULLRICH,U.KAZMAIER
Literature Reference Citation BEIL.J.ORG.CHEM.,8,1652(2012)
Literature Reference DOI 10.3762/bjoc.8.189
Molecular Weight 1141.576 g/mol
Solvent CDCl3
Source File Reference UWIR11250