Name: L-aspartyl-D-alanine amide monohydrate
SMILES:
C[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(N)=O.OMolecular Processing
Molecular formula
C7H15N3O5
Molecular weight
221.21
Exact mass
221.1012
XLogP
-3.05
TPSA
167.01
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
15
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.571
Molar refractivity
50.64
Supplementary Information
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