CC(C)(C)[Si](C)(C)OC1C2C(C(=O)CN2C(=O)C3=C(N1C(=O)OCC(Cl)(Cl)Cl)C=CC(=C3)OC)OCCCOC4C5C(N(C6=C(C=C(C=C6)OC)C(=O)N5CC4=O)C(=O)OCC(Cl)(Cl)Cl)O[Si](C)(C)C(C)(C)C
الاسم: 2,2,2-trichloroethyl (6S,6aS)-7-[3-[[(6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-8,11-dioxo-5-(2,2,2-trichloroethoxycarbonyl)-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-7-yl]oxy]propoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-8,11-dioxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate
SMILES: CC(C)(C)[Si](C)(C)OC1C2C(C(=O)CN2C(=O)C3=C(N1C(=O)OCC(Cl)(Cl)Cl)C=CC(=C3)OC)OCCCOC4C5C(N(C6=C(C=C(C=C6)OC)C(=O)N5CC4=O)C(=O)OCC(Cl)(Cl)Cl)O[Si](C)(C)C(C)(C)C

Molecular Processing

Molecular formula
C47H62Cl6N4O14Si2
Molecular weight
1175.92
Exact mass
1172.1932
XLogP
9.7
TPSA
189.22
H-bond donors
0
H-bond acceptors
14
Rotatable bonds
14
Heavy atoms
73
Rings
6
Aromatic rings
2
Saturated rings
2
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
26
Covalent units
1
Fraction Csp3
0.617
Molar refractivity
282.12

Supplementary Information

InChIKey: FLKXOKLCLFQZSZ-LIRZQAFOSA-N
مرادفات
FLKXOKLCLFQZSZ-LIRZQAFOSA-N1,1'-[[(Propane-1,3-diyl)dioxy]bis[(11S,11aS)-10-(2,2,2-trichloroethoxycarbonyl)-11-(tert-butyldimethylsilyloxy)-7-methoxy-2-oxo-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one]]
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