Name: ethyl (4R,5R)-5-[(S)-3-methyl-1-(3-methylbutylcarbamoyl)butylcarbamoyl]-1,3,2-dioxathiolane-4-carboxylate-2-oxide
SMILES:
CCOC(=O)[C@@H]1OS(=O)O[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)CMolecular Processing
Molecular formula
C17H30N2O7S
Molecular weight
406.5
Exact mass
406.1774
XLogP
0.61
TPSA
120.03
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
27
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.824
Molar refractivity
98.37
Supplementary Information
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