C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)[C@H](C[C@H]1CCC2(C1)O[C@@H](c1ccccc1)[C@H](c1ccccc1)O2)c1ccc(SC2CC2)cc1
SMILES: C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)[C@H](C[C@H]1CCC2(C1)O[C@@H](c1ccccc1)[C@H](c1ccccc1)O2)c1ccc(SC2CC2)cc1

Molecular Processing

Molecular formula
C41H45NO4S
Molecular weight
647.88
Exact mass
647.3069
XLogP
9.02
TPSA
59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
47
Rings
7
Aromatic rings
4
Saturated rings
3
Aliphatic rings
3
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.39
Molar refractivity
186.92

Supplementary Information

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