CCCOC1CC(N(C1)C(=O)OC(C)(C)C)C(C(CC2=CC(=CC(=C2)F)F)NC(=O)C3=CC(=CC(=C3)C)C(=O)N4CCCC4COC)O[Si](C)(C)C(C)(C)C
Nom: tert-butyl (2R,4R)-2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-difluorophenyl)-2-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoyl]amino]propyl]-4-propoxypyrrolidine-1-carboxylate
SMILES: CCCOC1CC(N(C1)C(=O)OC(C)(C)C)C(C(CC2=CC(=CC(=C2)F)F)NC(=O)C3=CC(=CC(=C3)C)C(=O)N4CCCC4COC)O[Si](C)(C)C(C)(C)C

Molecular Processing

Molecular formula
C42H63F2N3O7Si
Molecular weight
788.06
Exact mass
787.4403
XLogP
8.06
TPSA
106.64
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
14
Heavy atoms
55
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
211.88

Supplementary Information

InChIKey: APSDZULSIQTZBS-MANRWTMFSA-N
Synonymes
SCHEMBL2206449APSDZULSIQTZBS-MANRWTMFSA-N(2R,4R)-tert-butyl 2-((1S,2S)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)-2-(3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamido)propyl)-4-propoxypyrrolidine-1-carboxylate
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→