cPLA2alpha Inhibitor

(E)-N-[[(2S,4R)-1-[2-(2,4-difluorobenzoyl)benzoyl]-4-[2-methylpropyl-[(2-phenylphenyl)methyl]amino]pyrrolidin-2-yl]methyl]-3-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]prop-2-enamide

Also Known As: cPLA2alpha Inhibitor|RSC-3388|(E)-N-(((2S,4R)-4-((biphenyl-2-ylmethyl)(isobutyl)amino)-1-(2-(2,4-difluorobenzoyl)benzoyl)pyrrolidin-2-yl)methyl)-3-(4-((Z)-(2,4-dioxothiazolidin-5-ylidene)methyl)phenyl)acrylamide|N-{(2S,4R)-4-(Biphenyl-2-ylmethyl-isobutyl-amino)-1-[2-(2,4-difluorobenzoyl)-benzoyl]-pyrrolidin-2-ylmethyl}-3-[4-(2,4-dioxothiazolidin-5-ylidenemethyl)-phenyl]acrylamide, HCl|(E)-N-(((2S,4R)-4-(([1,1'-Biphenyl]-2-ylmethyl)(isobutyl)amino)-1-(2-(2,4-difluorobenzoyl)benzoyl)pyrrolidin-2-yl)methyl)-3-(4-((Z)-(2,4-dioxothiazolidin-5-ylidene)methyl)phenyl)acrylamide|(E)-N-[[(2S,4R)-1-[2-(2,4-difluorobenzoyl)benzoyl]-4-[2-methylpropyl-[(2-phenylphenyl)methyl]amino]pyrrolidin-2-yl]methyl]-3-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]prop-2-enamide|N-{4-(Biphenyl-2-ylmethyl-isobutyl-amino)-1-[2-(2,4-difluoro-benzoyl)-benzoyl]-pyrrolidin-2-ylmethyl}-3-[4-(2,4-dioxo-thiazolidin-5-ylidenemethyl)-phenyl]-acrylamide

Molecular Formula	C49H44F2N4O5S
Molecular Weight	838.30005 g/mol
LogP	8.7576
Topological Polar Surface Area	115.89 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	14
Exact Mass	838.30005
Monoisotopic Mass	838.30005
Heavy Atoms	61
Complexity	2524.4224

Chemical Identifiers

CAS Number	337307-06-9
SMILES	CC(C)CN(CC1=CC=CC=C1C2=CC=CC=C2)[C@@H]3C[C@H](N(C3)C(=O)C4=CC=CC=C4C(=O)C5=C(C=C(C=C5)F)F)CNC(=O)/C=C/C6=CC=C(C=C6)/C=C\7/C(=O)NC(=O)S7