COCC1(C(=O)NCc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21
SMILES: COCC1(C(=O)NCc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21

Molecular Processing

Molecular formula
C31H36N6O7
Molecular weight
604.66
Exact mass
604.2645
XLogP
3.45
TPSA
173.73
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
44
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
161.4

Supplementary Information

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