C[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N[C@@H](CCc1ccccc1)CS(=O)(=O)c1ccccc1
SMILES: C[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N[C@@H](CCc1ccccc1)CS(=O)(=O)c1ccccc1

Molecular Processing

Molecular formula
C30H35N3O5S
Molecular weight
549.69
Exact mass
549.2297
XLogP
3.55
TPSA
104.81
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
151.44

Supplementary Information

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