이름: benzyl (4R)-4-t-butoxycarbonylamino-5-(5-cyano-2-iodophenoxy)pentanoate
SMILES:
CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)COc1cc(C#N)ccc1IMolecular Processing
Molecular formula
C24H27IN2O5
Molecular weight
550.39
Exact mass
550.0965
XLogP
4.96
TPSA
97.65
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
128
Supplementary Information
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