C[C@@H](NC(=O)[C@@H](CCCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Name: 40b
SMILES: C[C@@H](NC(=O)[C@@H](CCCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

Molecular Processing

Molecular formula
C37H45N3O9
Molecular weight
675.78
Exact mass
675.3156
XLogP
5.34
TPSA
158.36
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
16
Heavy atoms
49
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.378
Molar refractivity
180.64

Supplementary Information

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