CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H](NCCc3c[nH]cn3)[C@@]2(O)C1
SMILES: CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H](NCCc3c[nH]cn3)[C@@]2(O)C1

Molecular Processing

Molecular formula
C36H61N3O3
Molecular weight
583.9
Exact mass
583.4713
XLogP
7.47
TPSA
87.24
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
42
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
10
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
168.78

Supplementary Information

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