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N,N'-bis(TFA-L-prolyl)-alpha-methylornithine butyl ester
SpectraBase Compound ID FtI8PIn3lpY
InChI InChI=1S/C24H34F6N4O6/c1-3-4-14-40-21(39)22(2,32-18(36)16-9-6-13-34(16)20(38)24(28,29)30)10-7-11-31-17(35)15-8-5-12-33(15)19(37)23(25,26)27/h15-16H,3-14H2,1-2H3,(H,31,35)(H,32,36)/t15-,16-,22-/m0/s1
InChIKey ROIPUGLWORXXDC-WCJKSRRJSA-N
Mol Weight 588.5 g/mol
Molecular Formula C24H34F6N4O6
Exact Mass 588.238254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDIYTXH5Z03
Name N,N'-bis(TFA-L-prolyl)-alpha-methylornithine butyl ester
CAS Registry Number 63085-45-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34F6N4O6
InChI InChI=1S/C24H34F6N4O6/c1-3-4-14-40-21(39)22(2,32-18(36)16-9-6-13-34(16)20(38)24(28,29)30)10-7-11-31-17(35)15-8-5-12-33(15)19(37)23(25,26)27/h15-16H,3-14H2,1-2H3,(H,31,35)(H,32,36)/t15-,16-,22-/m0/s1
InChIKey ROIPUGLWORXXDC-WCJKSRRJSA-N
Molecular Weight 588.548 g/mol
SMILES N(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)[C@@](CCCNC([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)(C(=O)OCCCC)C
SPLASH splash10-0159-7920000000-fef3feff84c1d8677029
Source of Spectrum W5-1989-9652-1
Synonyms N,N'-Bis(tfa-L-prolyl)-.alpha.-methylornithine butyl ester
Wiley ID 1409152