CC(C)(C)[C@@H](NC(=O)CNC(=O)COc1ccc([C@@H]2[C@@H](SCC(O)c3ccc4c(c3)OCCO4)C(=O)N2c2ccc(F)cc2)cc1)C(=O)O
SMILES: CC(C)(C)[C@@H](NC(=O)CNC(=O)COc1ccc([C@@H]2[C@@H](SCC(O)c3ccc4c(c3)OCCO4)C(=O)N2c2ccc(F)cc2)cc1)C(=O)O

Molecular Processing

Molecular formula
C35H38FN3O9S
Molecular weight
695.77
Exact mass
695.2313
XLogP
3.63
TPSA
163.73
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
49
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.371
Molar refractivity
179.23

Supplementary Information

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