CHEMBL45340

[(1S)-2-methyl-1-phenylpropyl] N-[(2R)-1-[7-(carbamoylamino)heptylamino]-3-(2,3-difluorophenyl)-2-methyl-1-oxopropan-2-yl]carbamate

Also Known As: CAM-5187|PD 161182|[(1S)-2-Methyl-1-phenylpropyl] N-[(2R)-1-[7-(carbamoylamino)heptylamino]-3-(2,3-difluorophenyl)-2-methyl-1-oxopropan-2-yl]carbamate|[(R)-2-(2,3-Difluoro-phenyl)-1-methyl-1-(7-ureido-heptylcarbamoyl)-ethyl]-carbamic acid (S)-2-methyl-1-phenyl-propyl ester|(1S)-2-methyl-1-phenylpropyl N-[(1R)-1-{[7-(carbamoylamino)heptyl]carbamoyl}-1-[(2,3-difluorophenyl)methyl]ethyl]carbamate|[(R)-2,3-Difluoro-alpha-methyl-alpha-[(7-ureidoheptyl)carbamoyl]phenethyl]carbamic acid (S)-alpha-isopropylbenzyl ester

Molecular Formula	C29H40F2N4O4
Molecular Weight	546.30176 g/mol
LogP	5.1245
Topological Polar Surface Area	122.55 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	4
Rotatable Bonds	15
Exact Mass	546.30176
Monoisotopic Mass	546.30176
Heavy Atoms	39
Complexity	1084.2122

Chemical Identifiers

CAS Number	168570-35-2
SMILES	CC(C)[C@@H](C1=CC=CC=C1)OC(=O)N[C@](C)(CC2=C(C(=CC=C2)F)F)C(=O)NCCCCCCCNC(=O)N