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N,N'-Bis(tfa-L-prolyl)lysine butyl ester
SpectraBase Compound ID AOAiEvDBpNj
InChI InChI=1S/C24H34F6N4O6/c1-2-3-14-40-20(37)15(32-19(36)17-10-7-13-34(17)22(39)24(28,29)30)8-4-5-11-31-18(35)16-9-6-12-33(16)21(38)23(25,26)27/h15-17H,2-14H2,1H3,(H,31,35)(H,32,36)/t15-,16-,17-/m0/s1
InChIKey NZKPIDXZOFYQQN-ULQDDVLXSA-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 208vLL5ywbu
Name N,N'-Bis(tfa-L-prolyl)lysine butyl ester
Alternate Name(s) Butyl (2S)-2,6-bis({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)hexanoate
CAS Registry Number 63085-26-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34F6N4O6
InChI InChI=1S/C24H34F6N4O6/c1-2-3-14-40-20(37)15(32-19(36)17-10-7-13-34(17)22(39)24(28,29)30)8-4-5-11-31-18(35)16-9-6-12-33(16)21(38)23(25,26)27/h15-17H,2-14H2,1H3,(H,31,35)(H,32,36)/t15-,16-,17-/m0/s1
InChIKey NZKPIDXZOFYQQN-ULQDDVLXSA-N
Molecular Weight 588.548 g/mol
SMILES N(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)[C@@](CCCCNC([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)(C(=O)OCCCC)[H]
SPLASH splash10-014i-6910000000-827efcfc816bc72c1fe6
Source of Spectrum W5-1989-9633-1
Wiley ID 1409153