CSCCC(NC(=O)C(Cc1ccc(OC(C)(C)C)cc1)N(C)C(=O)OC(C)(C)C)C(=O)NCCCc1ccccc1
SMILES: CSCCC(NC(=O)C(Cc1ccc(OC(C)(C)C)cc1)N(C)C(=O)OC(C)(C)C)C(=O)NCCCc1ccccc1

Molecular Processing

Molecular formula
C33H49N3O5S
Molecular weight
599.84
Exact mass
599.3393
XLogP
5.63
TPSA
96.97
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
14
Heavy atoms
42
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
171.01

Supplementary Information

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