CCCOC1CC(N(C1)C(=O)OC(C)(C)C)C(C(CC2=CC(=CC(=C2)F)F)NC(=O)C3=CC(=CC(=C3)OC(C)C)N4CCCC4=O)O[Si](C)(C)C(C)(C)C
Name: tert-butyl (2R,4R)-2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-difluorophenyl)-2-[[3-(2-oxopyrrolidin-1-yl)-5-propan-2-yloxybenzoyl]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)OC(C)C)N4CCCC4=O)O[Si](C)(C)C(C)(C)C

Molecular Processing

Molecular formula
C41H61F2N3O7Si
Molecular weight
774.03
Exact mass
773.4247
XLogP
8.41
TPSA
106.64
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
14
Heavy atoms
54
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.634
Molar refractivity
208.56

Supplementary Information

InChIKey: HOKOJMRCUHBCEX-WNFBGFHMSA-N
Synonyms
SCHEMBL2204097HOKOJMRCUHBCEX-WNFBGFHMSA-N(2R,4R)-tert-butyl 2-((1S,2S)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)-2-(3-isopropoxy-5-(2-oxopyrrolidin-1-yl)benzamido) propyl)-4-propoxypyrrolidine-1-carboxylate
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Involved in 2 reactions→

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