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)OC)c2)N(C(=O)OC(C)(C)C)C1
Название: tert-butyl (2R,4R)-2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-difluorophenyl)-2-[(3-methoxycarbonylbenzoyl)amino]propyl]-4-propoxypyrrolidine-1-carboxylate
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)OC)c2)N(C(=O)OC(C)(C)C)C1

Molecular Processing

Molecular formula
C36H52F2N2O7Si
Molecular weight
690.9
Exact mass
690.3512
XLogP
7.29
TPSA
103.4
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
48
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
0.583
Molar refractivity
182.54

Supplementary Information

InChIKey: PBADAYGRGDZAPR-ITGKQZKFSA-N
Синонимы
SCHEMBL2206443PBADAYGRGDZAPR-ITGKQZKFSA-N(2R,4R)-tert-butyl 2-((1S,2S)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)-2-(3-(methoxycarbonyl)benzamido)propyl)-4-propoxypyrrolidine-1-carboxylate
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