Name: 2-[4-(2-benzoylsulfanyl-3-phenyl-propionyl-amino)-3-oxo-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl]-4-methyl-valeric acid, tert-butyl ester
SMILES:
CC(C)CC(C(=O)OC(C)(C)C)N1Cc2ccccc2CC(NC(=O)C(Cc2ccccc2)SC(=O)c2ccccc2)C1=OMolecular Processing
Molecular formula
C36H42N2O5S
Molecular weight
614.81
Exact mass
614.2814
XLogP
6
TPSA
92.78
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
44
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
174.01
Supplementary Information
No supplementary data available
Involved in 5 reactions→