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N-[(1S,3R,9S,12R,15S)-3,12-DIMETHYL-4,10,13-TRIOXO-2-THIA-5,11,14-TRIAZATRICYCLO-[12.2.1.0(5,9)]-HEPTADECAN-15-YL-CARBONYL]-N,N'-(DIMETHYL)-ETHYLE
SpectraBase Compound ID Bqz111yPdth
InChI InChI=1S/C20H33N5O4S.C2HF3O2/c1-12-19(28)25-11-14(10-16(25)17(26)21-7-9-23(3)4)30-13(2)20(29)24-8-5-6-15(24)18(27)22-12;3-2(4,5)1(6)7/h12-16H,5-11H2,1-4H3,(H,21,26)(H,22,27);(H,6,7)/t12-,13+,14?,15-,16?;/m0./s1
InChIKey NOLIDYOGYKXKMO-GOWPHMIASA-N
Mol Weight 553.598 g/mol
Molecular Formula C22H34F3N5O6S
Exact Mass 553.218189 g/mol
Parent InChIKey ZMMLJYXRLKFAJU-LXINESAQSA-N
Enantiomer InChIKey NOLIDYOGYKXKMO-LMXWZRNISA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Design, construction and properties of peptide N-terminal cap templates devised to initiate α-helices. Part 3.† Caps derived from N-[(2S )-2-chloropropionyl]-(2S )-Pro-(2R)-Ala-(2S,4S )-4-thioPro-OMe Journal of the Chemical Society, Perkin Transactions 1 1998
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