CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](NCCCNCCCCN)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](NCCCNCCCCN)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Molecular Processing

Molecular formula
C34H63N3O2
Molecular weight
545.9
Exact mass
545.492
XLogP
5.79
TPSA
90.54
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
14
Heavy atoms
39
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.941
Molar refractivity
163.46

Supplementary Information

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