CCCCCCCCCCCCCCCC(=O)OCC(CSCCC(=O)NCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)OC(=O)CCCCCCCCCCCCCCC
Name: Example 4
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(CSCCC(=O)NCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)OC(=O)CCCCCCCCCCCCCCC

Molecular Processing

Molecular formula
C51H86N2O10S
Molecular weight
919.32
Exact mass
918.6003
XLogP
11.89
TPSA
185.4
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
44
Heavy atoms
64
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.765
Molar refractivity
257.45

Supplementary Information

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