Name: N1-{(1S,2R)-1-[4-(benzyloxy)benzyl]-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N3-[4-(benzyloxy)butyl]-5-methyl-N3-propylisophthalamide
SMILES:
CCCN(CCCCOCc1ccccc1)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)[C@H](O)CNCc2cccc(OC)c2)c1Molecular Processing
Molecular formula
C48H57N3O6
Molecular weight
772
Exact mass
771.4247
XLogP
7.92
TPSA
109.36
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
23
Heavy atoms
57
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
225.59
Supplementary Information
Details werden geladen…
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