CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)[C@H]2C[C@@H](S(=O)(=O)CCC)CN2)cc(-c2ncco2)c1
SMILES: CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)[C@H]2C[C@@H](S(=O)(=O)CCC)CN2)cc(-c2ncco2)c1

Molecular Processing

Molecular formula
C33H44N4O6S
Molecular weight
624.8
Exact mass
624.2982
XLogP
3.86
TPSA
141.84
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
15
Heavy atoms
44
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.485
Molar refractivity
170.1

Supplementary Information

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