(4R)-13-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-11-methoxy-10-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,5,6,7,9-hexahydro-1H-8,2,5-benzoxathiaazacycloundecine-6,9-dione (HCID 67712984)

基本情報

標準SMILES: COc1cc(O[Si](C)(C)C(C)(C)C(C)C)c2c(c1C)C(=O)SCC(=O)N[C@@H](c1nc(C)no1)COC2
InChIKey: PIPQMBFZVMMBJA-GOSISDBHSA-N
分子式: C25H37N3O6SSi
平均分子量: 535.7 g/mol

名称と識別子

優先名称: (4R)-13-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-11-methoxy-10-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,5,6,7,9-hexahydro-1H-8,2,5-benzoxathiaazacycloundecine-6,9-dione
IUPAC: (5R)-15-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-13-methoxy-12-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-oxa-9-thia-6-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-7,10-dione

名称と別名

SCHEMBL8869754PIPQMBFZVMMBJA-GOSISDBHSA-N(4R)-13-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-11-methoxy-10-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,5,6,7,9-hexahydro-1H-8,2,5-benzoxathiaazacycloundecine-6,9-dione(4R)-13-[dimethyl-(1,1,2-trimethylpropyl)-silanyloxy]-11-methoxy-10-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,5,6,7,9-hexahydro-1H-8,2,5-benzoxathiaazacycloundecine-6,9-dione

データベース識別子

PubChem CID: 67712984

物性

構造計算による物性

極性表面積: 138 Å²
水素結合供与体数: 1
水素結合受容体数: 9
回転可能結合数: 6
重原子数: 36
形式電荷: 0
複雑度: 785

化合物ノート

読み込み中…