chempirical

N6-(2,2,2-Trifluoroacetyl)-L-lysyl-L-proline

C13H20F3N3O4CAS 103300-89-6339.32 g/mol

Open in Covalent MOL file
NH2NHOFFFONOHO
Alkyl halideAmideCarboxylic acidPrimary amine

Properties

Molecular formula
C13H20F3N3O4
Molar mass
339.32 g/mol
Exact mass
339.1406 Da
logP
1.08Crippen estimate
Polar surface area
116.2 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
7
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
103300-89-6
SMILES
N[C@@H](CCCCN=C(O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)O
InChIKey
MUYCUFZXUZRHSL-IUCAKERBSA-N
InChI
InChI=1S/C13H20F3N3O4/c14-13(15,16)12(23)18-6-2-1-4-8(17)10(20)19-7-3-5-9(19)11(21)22/h8-9H,1-7,17H2,(H,18,23)(H,21,22)/t8-,9-/m0/s1

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Names and synonyms

4 names
  • L-Proline, N6-(2,2,2-trifluoroacetyl)-L-lysyl-
  • L-Proline, 1-[N6-(trifluoroacetyl)-L-lysyl]-
  • L-Proline, N6-(trifluoroacetyl)-L-lysyl-
  • N-(N6-Trifluoroacetyl-L-lysyl)-L-proline

Work with N6-(2,2,2-Trifluoroacetyl)-L-lysyl-L-proline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N6-(2,2,2-Trifluoroacetyl)-L-lysine10009-20-867 % similar L-Alanyl-L-proline13485-59-148 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-(2,2,2-trifluoroacetyl)-L-lysine16965-06-344 % similar L-Tryptophyl-L-proline38136-75-343 % similar Captopril62571-86-241 % similar Acetyllysine692-04-641 % similar N-Trifluoroacetyl-L-lysine N-carboxyanhydride42267-27-641 % similar Glycyl-L-proline704-15-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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