Cc1c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cc(OCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCN4C(=O)C=CC4=O)cc3Cl)C(=O)O)cc2)c(=O)n(C)c(=O)n1C
SMILES: Cc1c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cc(OCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCN4C(=O)C=CC4=O)cc3Cl)C(=O)O)cc2)c(=O)n(C)c(=O)n1C

Molecular Processing

Molecular formula
C44H54Cl2N6O14
Molecular weight
961.85
Exact mass
960.3075
XLogP
1.56
TPSA
252.13
H-bond donors
4
H-bond acceptors
13
Rotatable bonds
29
Heavy atoms
66
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
22
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
240.65

Supplementary Information

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