COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]2CCCO2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1
SMILES: COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]2CCCO2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1

Molecular Processing

Molecular formula
C30H37N3O7
Molecular weight
551.64
Exact mass
551.2632
XLogP
1.49
TPSA
135.36
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
40
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
146.65

Supplementary Information

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