이름: benzyl (2S,3S)-1-(3,4-dimethoxybenzyl)-2-[1(R),2-dihydroxyethyl]-4-oxo-3-azetidinecarbamate
SMILES:
COc1ccc(CN2C(=O)[C@@H](NC(=O)OCc3ccccc3)[C@H]2[C@@H](O)CO)cc1OCMolecular Processing
Molecular formula
C22H26N2O7
Molecular weight
430.46
Exact mass
430.174
XLogP
1.06
TPSA
117.56
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
110.53
Supplementary Information
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