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](Oc3ccccn3)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](Oc3ccccn3)CN2)C1=O

Molecular Processing

Molecular formula
C38H47F2N5O5
Molecular weight
691.82
Exact mass
691.3545
XLogP
3.71
TPSA
132.89
H-bond donors
4
H-bond acceptors
7
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
12
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
183.94

Supplementary Information

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