CC(C)C[C@@H](C(=O)NN1C(=O)CN(C(=O)OCc2ccccc2)CC1=O)[C@H](CC=Cc1ccccc1)C(=O)OC(C)(C)C
SMILES: CC(C)C[C@@H](C(=O)NN1C(=O)CN(C(=O)OCc2ccccc2)CC1=O)[C@H](CC=Cc1ccccc1)C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C33H41N3O7
Molecular weight
591.71
Exact mass
591.2945
XLogP
4.75
TPSA
122.32
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
43
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.424
Molar refractivity
160.57

Supplementary Information

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