CCCO[C@@H]1C[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(NC(=O)c3ccccc3)c2)N(C(=O)OC(C)(C)C)C1
이름: tert-butyl (2R,4R)-2-[(1S,2S)-2-[(3-benzamido-5-methylbenzoyl)amino]-1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-difluorophenyl)propyl]-4-propoxypyrrolidine-1-carboxylate
SMILES: CCCO[C@@H]1C[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(NC(=O)c3ccccc3)c2)N(C(=O)OC(C)(C)C)C1

Molecular Processing

Molecular formula
C42H57F2N3O6Si
Molecular weight
766.01
Exact mass
765.3985
XLogP
9.06
TPSA
106.2
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
54
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
210.34

Supplementary Information

InChIKey: RTNDALDHUQXXAG-VQJPNMBPSA-N
동의어
SCHEMBL2205936RTNDALDHUQXXAG-VQJPNMBPSA-N(2R,4R)-tert-butyl 2-((1S,2S)-2-(3-(benzamido)-5-methylbenzamido)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)propyl)-4-propoxypyrrolidine-1-carboxylate
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