CC(C)CC(C(=O)NNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C
SMILES: CC(C)CC(C(=O)NNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C38H45N3O6
Molecular weight
639.79
Exact mass
639.3308
XLogP
6.4
TPSA
122.83
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
47
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
181.73

Supplementary Information

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