Name: N-benzyloxycarbonyl-(β-benzyl)-L-aspartic acid
SMILES:
O=C(N[C@H](C(=O)O)C(Cc1ccccc1)C(=O)O)OCc1ccccc1Molecular Processing
Molecular formula
C19H19NO6
Molecular weight
357.36
Exact mass
357.1212
XLogP
2.31
TPSA
112.93
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
92.46
Supplementary Information
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