CCOC(=O)[C@@H]1OS(=O)(=O)O[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
SMILES: CCOC(=O)[C@@H]1OS(=O)(=O)O[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C

Molecular Processing

Molecular formula
C17H30N2O8S
Molecular weight
422.5
Exact mass
422.1723
XLogP
0.27
TPSA
137.1
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
28
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.824
Molar refractivity
99.15

Supplementary Information

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