COc1ccc(C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)[C@H](O)CN2CCC[C@H]2C(=O)OC(C)(C)C)cc1
SMILES: COc1ccc(C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)[C@H](O)CN2CCC[C@H]2C(=O)OC(C)(C)C)cc1

Molecular Processing

Molecular formula
C32H44N4O8
Molecular weight
612.72
Exact mass
612.3159
XLogP
2.06
TPSA
169.52
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
44
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
162.44

Supplementary Information

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