CNC(=O)C(Cc1ccccc1)N(C)C(=O)C(Cc1cccc2ccccc12)N(C)C(=O)C=CCC(C)(C)NC(=O)OC(C)(C)C
SMILES: CNC(=O)C(Cc1ccccc1)N(C)C(=O)C(Cc1cccc2ccccc12)N(C)C(=O)C=CCC(C)(C)NC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C37H48N4O5
Molecular weight
628.81
Exact mass
628.3625
XLogP
5.27
TPSA
108.05
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
46
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.405
Molar refractivity
182.19

Supplementary Information

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