CCCS(=O)(=O)C1CC(N(C1)C(=O)OC(C)(C)C)C(C(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C
名称: tert-butyl (2R,4R)-2-[(1S,2S)-2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-phenylmethoxypropyl]-4-propylsulfonylpyrrolidine-1-carboxylate
SMILES: CCCS(=O)(=O)C1CC(N(C1)C(=O)OC(C)(C)C)C(C(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C

Molecular Processing

Molecular formula
C35H53NO7SSi
Molecular weight
659.96
Exact mass
659.3312
XLogP
7.18
TPSA
99.21
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
45
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
181.15

Supplementary Information

InChIKey: ZNZDJUCFYJAAIT-ITGKQZKFSA-N
同義語
SCHEMBL2203846ZNZDJUCFYJAAIT-ITGKQZKFSA-N(2r,4r)-tert-butyl 2-((1s,2s)-2-(benzyloxycarbonyl)-1-(tert-butyldimethylsilyloxy)-3-phenylpropyl)-4-(propylsulfonyl)pyrrolidine-1-carboxylate
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