名称: (S)-2-((S)-3-acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1S,2S)-1-((R)-1-benzhydrylpiperidin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-4-phenylbutanamide
SMILES:
CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CCCCN2C(c2ccccc2)c2ccccc2)C1=OMolecular Processing
Molecular formula
C47H56F2N4O4
Molecular weight
778.98
Exact mass
778.427
XLogP
7.15
TPSA
101.98
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
16
Heavy atoms
57
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.426
Molar refractivity
217.96
Supplementary Information
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