Trifluoroacetyllysylalanine-trifluoromethylphenylanilide

(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]-N-[(2S)-2-[4-(trifluoromethyl)anilino]propanoyl]hexanamide

Also Known As: Tfa-lys-ala-tfmpa|TFAI|Trifluoroacetyllysylalanine-trifluoromethylphenylanilide|Trifluoroacetyl-lysyl-alanyl-trifluoromethylphenylanilide|(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]-N-[(2S)-2-[4-(trifluoromethyl)anilino]propanoyl]hexanamide|L-Alaninamide, N2-(trifluoroacetyl)-L-lysyl-N-(4-(trifluoromethyl)phenyl)-|n2-(trifluoroacetyl)-n-[(2s)-2-{[4-(trifluoromethyl)phenyl]amino}propanoyl]-l-lysinamide|(2S)-N-[N~2~-(2,2,2-Trifluoro-1-hydroxyethylidene)-L-lysyl]-2-[4-(trifluoromethyl)anilino]propanimidic acid|N-[N~2~-(2,2,2-Trifluoro-1-hydroxyethylidene)lysyl]-2-[4-(trifluoromethyl)anilino]propanimidic acid

Molecular Formula	C18H22F6N4O3
Molecular Weight	456.1596 g/mol
LogP	2.9
Topological Polar Surface Area	113.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	9
Exact Mass	456.1596
Monoisotopic Mass	456.1596
Heavy Atoms	31
Complexity	618.0

Chemical Identifiers

CAS Number	2972-80-7
SMILES	C[C@@H](C(=O)NC(=O)[C@H](CCCCN)NC(=O)C(F)(F)F)NC1=CC=C(C=C1)C(F)(F)F
InChIKey	RWWZMFNNSUSTMW-GWCFXTLKSA-N