COC(=O)N[C@@H](CCOC(F)F)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc4c3)cc2)[nH]1
SMILES: COC(=O)N[C@@H](CCOC(F)F)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc4c3)cc2)[nH]1

Molecular Processing

Molecular formula
C48H54F2N8O7
Molecular weight
893
Exact mass
892.4084
XLogP
8.13
TPSA
183.87
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
65
Rings
9
Aromatic rings
5
Saturated rings
4
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
236.07

Supplementary Information

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