CCCCCCCCCCCCOC[C@H](CSC[C@H](N)C(=O)NCCOCCOCCOCCC(=O)O)NC(=O)CCCCCCCCCCC
SMILES: CCCCCCCCCCCCOC[C@H](CSC[C@H](N)C(=O)NCCOCCOCCOCCC(=O)O)NC(=O)CCCCCCCCCCC

Molecular Processing

Molecular formula
C39H77N3O8S
Molecular weight
748.12
Exact mass
747.5431
XLogP
7.03
TPSA
158.44
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
41
Heavy atoms
51
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
209.46

Supplementary Information

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