SMILES:
CCOC(=O)CN1C(=O)[C@@H](NC(=O)C2(CC(CC(=O)NCCCO)C(=O)O)CCCC2)CCc2ccccc21Molecular Processing
Molecular formula
C28H39N3O8
Molecular weight
545.63
Exact mass
545.2737
XLogP
1.55
TPSA
162.34
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
39
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.607
Molar refractivity
141.65
Supplementary Information
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