SMILES:
O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)NCCCOc1cc(Cl)c(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)c(Cl)c1Molecular Processing
Molecular formula
C52H65Cl4N5O17
Molecular weight
1173.92
Exact mass
1171.313
XLogP
4.82
TPSA
274.15
H-bond donors
5
H-bond acceptors
16
Rotatable bonds
42
Heavy atoms
78
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
26
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
287.69
Supplementary Information
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