CC(CNC(C)(C)CC(=O)NC1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)OC(C)(C)C)cc2)C1=O)OCc1ccccc1
SMILES: CC(CNC(C)(C)CC(=O)NC1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)OC(C)(C)C)cc2)C1=O)OCc1ccccc1

Molecular Processing

Molecular formula
C44H54N4O5
Molecular weight
718.94
Exact mass
718.4094
XLogP
7.71
TPSA
109
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
14
Heavy atoms
53
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.386
Molar refractivity
210.23

Supplementary Information

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