CC(C)(C)OC(=O)N1CC(O)(c2ccccc2)C[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cccc(C(N)=O)c1
이름: tert-butyl (2R)-2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(3-carbamoylbenzoyl)amino]-3-(3,5-difluorophenyl)propyl]-4-hydroxy-4-phenylpyrrolidine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CC(O)(c2ccccc2)C[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cccc(C(N)=O)c1

Molecular Processing

Molecular formula
C38H49F2N3O6Si
Molecular weight
709.91
Exact mass
709.3359
XLogP
6.69
TPSA
131.19
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
50
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.447
Molar refractivity
190.03

Supplementary Information

InChIKey: WFJLPYBTEMLZTM-KSKWXQNLSA-N
동의어
SCHEMBL3231674WFJLPYBTEMLZTM-KSKWXQNLSA-N(2R)-tert-butyl 2-((1S,2S)-1-(tert-butyldimethylsilyloxy)-2-(3-(carbamoyl)benzamido)-3-(3,5-difluorophenyl)propyl)-4-hydroxy-4-phenylpyrrolidine-1-carboxylate
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