CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Oc3ccccc3)CN2)C1=O
SMILES: CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Oc3ccccc3)CN2)C1=O

Molecular Processing

Molecular formula
C39H48F2N4O5
Molecular weight
690.83
Exact mass
690.3593
XLogP
4.32
TPSA
120
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
15
Heavy atoms
50
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
186.15

Supplementary Information

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