이름: (2S,4S)-1-[[N-Benzyloxycarbonyl-N-[4-(benzotriazol-1-yl)oxycarbonylbicyclo[2.2.2]oct-1-yl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile
SMILES:
N#C[C@@H]1C[C@H](F)CN1C(=O)CN(C(=O)OCc1ccccc1)C12CCC(C(=O)On3nnc4ccccc43)(CC1)CC2Molecular Processing
Molecular formula
C30H31FN6O5
Molecular weight
574.61
Exact mass
574.234
XLogP
3.58
TPSA
130.65
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
42
Rings
7
Aromatic rings
3
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
145.94
Supplementary Information
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