SMILES:
CC[C@@H](NC(=O)N1CC(=O)N(Cc2c(OC)cc(OC)cc2OC)C[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1cc(C(=O)OC(C)(C)C)ccn1Molecular Processing
Molecular formula
C37H45ClN4O9
Molecular weight
725.24
Exact mass
724.2875
XLogP
5.62
TPSA
145.83
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
51
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.432
Molar refractivity
189.4
Supplementary Information
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