Название: (S)-2-[4-(3-aminopropoxy)-2,6-dichlorobenzoylamino]-3-[4-(2,6-dichlorobenzoylamino)phenyl]propionic acid
SMILES:
NCCCOc1cc(Cl)c(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)c(Cl)c1Molecular Processing
Molecular formula
C26H23Cl4N3O5
Molecular weight
599.3
Exact mass
597.0392
XLogP
5.71
TPSA
130.75
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
38
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.192
Molar refractivity
149.08
Supplementary Information
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