COC(=O)C12CC3CC(CC(N)(C3)C1C(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CCSC)NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C2
SMILES: COC(=O)C12CC3CC(CC(N)(C3)C1C(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CCSC)NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C2

Molecular Processing

Molecular formula
C42H57N5O9S
Molecular weight
808.01
Exact mass
807.3877
XLogP
3.18
TPSA
215.25
H-bond donors
6
H-bond acceptors
11
Rotatable bonds
17
Heavy atoms
57
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
214.91

Supplementary Information

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