Name: β-benzyl N-benzyloxycarbonyl-L-aspartyl-D-alanine amide
SMILES:
C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O)C(N)=OMolecular Processing
Molecular formula
C22H25N3O6
Molecular weight
427.46
Exact mass
427.1743
XLogP
1.21
TPSA
147.82
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
111.62
Supplementary Information
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