CHEMBL280897

2-[4-[2-[cyclohexylcarbamoyl-[2-(4-phenylphenyl)ethyl]amino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid

Also Known As: J1.537.412H|2-[4-[2-[1-[2-(4-Biphenylyl)ethyl]-3-cyclohexylureido]ethyl]phenylthio]isobutyric acid|2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-cyclohexyl-ureido]-ethyl}-phenylsulfanyl)-2-methyl-propionic acid|2-[(4-{2-[(2-{[1,1'-biphenyl]-4-yl}ethyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid|2-[[4-[2-[(2-[1,1a(2)-Biphenyl]-4-ylethyl)[(cyclohexylamino)carbonyl]amino]ethyl]phenyl]thio]-2-methylpropanoic acid

Molecular Formula	C33H40N2O3S
Molecular Weight	544.27594 g/mol
LogP	7.4384
Topological Polar Surface Area	69.64 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	11
Exact Mass	544.27594
Monoisotopic Mass	544.27594
Heavy Atoms	39
Complexity	1203.9612

Chemical Identifiers

CAS Number	265129-72-4
SMILES	CC(C)(C(=O)O)SC1=CC=C(C=C1)CCN(CCC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)NC4CCCCC4