名称: (+)-2-[4-[((3S)-1-acetimidoyl-3-pyrrolidinyl)oxy]phenyl]-3-(7-amidino-2-naphthyl)propionic acid dihydrochloride
SMILES:
CC(=N)N1CC[C@H](Oc2ccc(C(Cc3ccc4ccc(C(=N)N)cc4c3)C(=O)O)cc2)C1.Cl.ClMolecular Processing
Molecular formula
C26H30Cl2N4O3
Molecular weight
517.46
Exact mass
516.1695
XLogP
4.83
TPSA
123.49
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.269
Molar refractivity
143.99
Supplementary Information
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