CC(C)C[C@H](N)C(=O)O.O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O
SMILES: CC(C)C[C@H](N)C(=O)O.O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O

Molecular Processing

Molecular formula
C18H26N2O8
Molecular weight
398.41
Exact mass
398.1689
XLogP
1.29
TPSA
176.25
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
28
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.444
Molar refractivity
98.51

Supplementary Information

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