C[C@H](OC(=O)OC1CCCCC1)OC(=O)[C@](C)(CO)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnn[nH]1
SMILES: C[C@H](OC(=O)OC1CCCCC1)OC(=O)[C@](C)(CO)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnn[nH]1

Molecular Processing

Molecular formula
C31H38N4O7
Molecular weight
578.67
Exact mass
578.274
XLogP
4.58
TPSA
152.73
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
42
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
153.02

Supplementary Information

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