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

Molecular Processing

Molecular formula
C35H51F2N3O6Si
Molecular weight
675.89
Exact mass
675.3515
XLogP
6.6
TPSA
120.19
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
179.72

Supplementary Information

InChIKey: KTKFMTMUGZNDHS-ATIZSFMBSA-N
Synonyms
SCHEMBL2201151KTKFMTMUGZNDHS-ATIZSFMBSA-N(2R,4R)-tert-Butyl 2-((1S,2S)-1-(tert-butyldimethylsilyloxy)-2-(3-(carbamoyl)benzamido)-3-(3,5-difluorophenyl) propyl)-4-propoxypyrrolidine-1-carboxylate(2R,4R)-tert-butyl 2-((1S,2S)-1-(tert-butyldimethylsilyloxy)-2-(3-(carbamoyl)benzamido)-3-(3,5-difluorophenyl)propyl)-4-propoxypyrrolidine-1-carboxylate
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Involved in 13 reactions→

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