C27H36N4O3

(1S,9S)-N-[(2S)-1-(4-butylanilino)-3-methyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

Also Known As: (1R,5R)-N-((S)-1-((4-butylphenyl)amino)-3-methyl-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide|(1S,5S)-N-{(2S)-1-[(4-butylphenyl)amino]-3-methyl-1-oxobutan-2-yl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide

Molecular Formula	C27H36N4O3
Molecular Weight	464.27875 g/mol
LogP	3.9829
Topological Polar Surface Area	83.44 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	464.27875
Monoisotopic Mass	464.27875
Heavy Atoms	34
Complexity	1076.028

Chemical Identifiers

CAS Number	956044-72-7
SMILES	CCCCC1=CC=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3