C=CCCC(C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Name: N-formyl-L-leucine 1-[(trans-3-hexyl-4-oxo-2-oxetanyl)methyl]-4-pentenyl ester
SMILES: C=CCCC(C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O

Molecular Processing

Molecular formula
C22H37NO5
Molecular weight
395.54
Exact mass
395.2672
XLogP
3.93
TPSA
81.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
16
Heavy atoms
28
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.773
Molar refractivity
108.5

Supplementary Information

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