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Cyclo(O-benzyl-L-threonyl-D-valyl-L-prolyl-sarcosyl-N-methyl-L-alanyl)
SpectraBase Compound ID AE7s0c2tjCh
InChI InChI=1S/C28H41N5O6/c1-17(2)23-28(38)33-14-10-13-21(33)27(37)31(5)15-22(34)32(6)18(3)25(35)30-24(26(36)29-23)19(4)39-16-20-11-8-7-9-12-20/h7-9,11-12,17-19,21,23-24H,10,13-16H2,1-6H3,(H,29,36)(H,30,35)
InChIKey UPRXHONCWGZIBX-UHFFFAOYSA-N
Mol Weight 543.7 g/mol
Molecular Formula C28H41N5O6
Exact Mass 543.305684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GUxoAM3BA6j
Name Cyclo(O-benzyl-L-threonyl-D-valyl-L-prolyl-sarcosyl-N-methyl-L-alanyl)
CAS Registry Number 76805-09-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H41N5O6
InChI InChI=1S/C28H41N5O6/c1-17(2)23-28(38)33-14-10-13-21(33)27(37)31(5)15-22(34)32(6)18(3)25(35)30-24(26(36)29-23)19(4)39-16-20-11-8-7-9-12-20/h7-9,11-12,17-19,21,23-24H,10,13-16H2,1-6H3,(H,29,36)(H,30,35)
InChIKey UPRXHONCWGZIBX-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference A.B. Mauger, O.A. Stuart, R.J.Highet, J. Am. Chem. Soc. 104, 174 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3