CCCOC1CC(N(C1)C(=O)OC(C)(C)C)C(C(CC2=CC(=CC(=C2)F)F)NC(=O)C3=CC(=CC(=C3)C4=NC=CO4)C(=O)N5CCCC5COC)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-(1,3-oxazol-2-yl)benzoyl]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)C4=NC=CO4)C(=O)N5CCCC5COC)O[Si](C)(C)C(C)(C)C

Molecular Processing

Molecular formula
C44H62F2N4O8Si
Molecular weight
841.08
Exact mass
840.4305
XLogP
8.41
TPSA
132.67
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
15
Heavy atoms
59
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
222.64

Supplementary Information

InChIKey: VNIYSIFUELHVGF-HRTJLHCRSA-N
Synonymes
SCHEMBL2205383VNIYSIFUELHVGF-HRTJLHCRSA-N(2R,4R)-tert-butyl 2-((1S,2S)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)-2-(3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-(oxazol-2-yl)benzamido)propyl)-4-propoxypyrrolidine-1-carboxylate
Voir la source →
Impliqué dans 15 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→