이름: benzyl (2S,5R)-5-[(benzyloxy)amino]piperidine-2-carboxylate ethanedioate
SMILES:
O=C(O)C(=O)O.O=C(OCc1ccccc1)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1Molecular Processing
Molecular formula
C22H26N2O7
Molecular weight
430.46
Exact mass
430.174
XLogP
1.73
TPSA
134.19
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.318
Molar refractivity
110.69
Supplementary Information
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