Name: benzyl (1S,3S,4S)-3-acetamido-3-(tert-butylcarbamoyl)-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl)cyclopentylcarbamate
SMILES:
CC(=O)N[C@@]1(C(=O)NC(C)(C)C)C[C@@H](NC(=O)OCc2ccccc2)C[C@@H]1CCCB1OC(C)(C)C(C)(C)O1Molecular Processing
Molecular formula
C29H46BN3O6
Molecular weight
543.51
Exact mass
543.348
XLogP
4.35
TPSA
114.99
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
39
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.69
Molar refractivity
150.84
Supplementary Information
Details werden geladen…
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