CCC(C)C(NC(=O)OC(C)(C)C)C(=O)OC(C)OC(=O)N(CC1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(C)=O
SMILES: CCC(C)C(NC(=O)OC(C)(C)C)C(=O)OC(C)OC(=O)N(CC1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(C)=O

Molecular Processing

Molecular formula
C31H44FN3O11S
Molecular weight
685.77
Exact mass
685.2681
XLogP
4.26
TPSA
174.92
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
10
Heavy atoms
47
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.645
Molar refractivity
166.68

Supplementary Information

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