CC(C)CC=C1CCC2(CC1)SC(CC(=O)OC(C)C)C(=O)N2CC(=O)O
SMILES: CC(C)CC=C1CCC2(CC1)SC(CC(=O)OC(C)C)C(=O)N2CC(=O)O

Molecular Processing

Molecular formula
C20H31NO5S
Molecular weight
397.54
Exact mass
397.1923
XLogP
3.6
TPSA
83.91
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
27
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
105.31

Supplementary Information

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