이름: N-β-alanyl-L-threonine
SMILES:
C[C@@H](O)[C@H](NC(=O)CCN)C(=O)OMolecular Processing
Molecular formula
C7H14N2O4
Molecular weight
190.2
Exact mass
190.0954
XLogP
-1.71
TPSA
112.65
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
44.92
Supplementary Information
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