CCC1(C(=O)NCc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21
SMILES: CCC1(C(=O)NCc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21

Molecular Processing

Molecular formula
C31H36N6O6
Molecular weight
588.67
Exact mass
588.2696
XLogP
4.21
TPSA
164.5
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
43
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
159.82

Supplementary Information

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