EINECS 231-684-0

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]imidazol-4-yl]propanoic acid

Also Known As: EINECS 231-684-0|KST-1B8727|1-(1-{[(benzyloxy)carbonyl]amino}-2,2,2-trifluoroethyl)-n-(tert-butoxycarbonyl)-l-histidine|1-[1-[[(benzyloxy)carbonyl]amino]-2,2,2-trifluoroethyl]-N-(tert-butoxycarbonyl)-L-histidine|1-(1-(((Benzyloxy)carbonyl)amino)-2,2,2-trifluoroethyl)-N-(tert-butoxycarbonyl)-L-histidine|Histidine, N-carboxy-1-(1-(carboxyamino)-2,2,2-trifluoroethyl)-, benzyl tert-butyl ester|(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]imidazol-4-yl]propanoic acid|(2S)-3-[1-(1-{[(benzyloxy)carbonyl]amino}-2,2,2-trifluoroethyl)-1H-imidazol-4-yl]-2-{[(tert-butoxy)carbonyl]amino}propanoic acid|1-(1-{[(Benzyloxy)(hydroxy)methylidene]amino}-2,2,2-trifluoroethyl)-N-[tert-butoxy(hydroxy)methylidene]-L-histidine|1-(1-{[(Benzyloxy)(hydroxy)methylidene]amino}-2,2,2-trifluoroethyl)-N-[tert-butoxy(hydroxy)methylidene]histidine|Histidine, N-carboxy-1-(1-(carboxyamino)-2,2,2-trifluoroethyl)-, monobenzyl N-tert-butyl ester, L-|L-Histidine, N-((1,1-dimethylethoxy)carbonyl)-1-(2,2,2-trifluoro-1-(((phenylmethoxy)carbonyl)amino)ethyl)-|N-(1-(((benzyloxy)carbonyl)amino)-2,2,2-trifluoroethyl)-N-(tert-butoxycarbonyl)-L-histidine|Nalpha-(tert-Butoxycarbonyl)-1-[2,2,2-trifluoro-1-[(benzyloxycarbonyl)amino]ethyl]-L-histidine

Molecular Formula	C21H25F3N4O6
Molecular Weight	486.1726 g/mol
LogP	3.39
Topological Polar Surface Area	131.78 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	486.1726
Heavy Atoms	34
Complexity	988.4

Chemical Identifiers

CAS Number	7682-45-3
SMILES	CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C(C(F)(F)F)NC(=O)OCC2=CC=CC=C2)C(=O)O