Name: N-[(benzyloxy)carbonyl]-L-leucine (S)-1-[[(2S,3S)-3-ethyl-4-oxo-2-oxetanyl]methyl]octadecyl ester
SMILES:
CCCCCCCCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CC)OC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1Molecular Processing
Molecular formula
C38H63NO6
Molecular weight
629.92
Exact mass
629.4655
XLogP
9.84
TPSA
90.93
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
26
Heavy atoms
45
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.763
Molar refractivity
180.71
Supplementary Information
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