C#CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C)C(OC)OC
SMILES: C#CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C)C(OC)OC

Molecular Processing

Molecular formula
C34H45N3O6
Molecular weight
591.75
Exact mass
591.3308
XLogP
4.6
TPSA
114.99
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
43
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
166.02

Supplementary Information

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