CCCO[C@@H]1C[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(C(=O)O)c2)N(C(=O)OC(C)(C)C)C1
الاسم: 3-[[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-difluorophenyl)-1-[(2R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propoxypyrrolidin-2-yl]propan-2-yl]carbamoyl]benzoic acid
SMILES: CCCO[C@@H]1C[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(C(=O)O)c2)N(C(=O)OC(C)(C)C)C1

Molecular Processing

Molecular formula
C35H50F2N2O7Si
Molecular weight
676.87
Exact mass
676.3355
XLogP
7.2
TPSA
114.4
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
47
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
178.16

Supplementary Information

InChIKey: AFTMAWRBQYYOPO-ATIZSFMBSA-N
مرادفات
SCHEMBL2204550AFTMAWRBQYYOPO-ATIZSFMBSA-N3-(((1S,2S)-1-((2R,4R)-1-(tert-butoxycarbonyl)-4-propoxypyrrolidin-2-yl)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)propan-2-yl)carbamoyl)benzoic acid3-(((lS,2S)-1-((2R,4R)-1-(tert-butoxycarbonyl)-4-propoxypyrrolidin-2-yl)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)propan-2-yl)carbamoyl)benzoic acid
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