CSCC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)CNC(=O)C1CCCN1C(C)(C)C
SMILES: CSCC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)CNC(=O)C1CCCN1C(C)(C)C

Molecular Processing

Molecular formula
C31H44N4O5S
Molecular weight
584.78
Exact mass
584.3032
XLogP
3.11
TPSA
120
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
41
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.516
Molar refractivity
162.51

Supplementary Information

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