CCOC(=O)N1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1
SMILES: CCOC(=O)N1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1

Molecular Processing

Molecular formula
C17H31N3O7S
Molecular weight
421.52
Exact mass
421.1883
XLogP
0.62
TPSA
122.32
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.824
Molar refractivity
102.66

Supplementary Information

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