基本情報
- 標準SMILES
C=CCOC(=O)c1c(C)c(OC)cc(O[Si](C)(C)C(C)(C)C(C)C)c1CSC[C@H](N)c1nc(C)no1- InChIKey
ZCQDOHAQGFYALS-FQEVSTJZSA-N- 分子式
- C26H41N3O5SSi
- 平均分子量
- 535.8 g/mol
名称と識別子
- 優先名称
- (R)-2-[2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)-ethylsulfanyl-methyl]-3-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-5-methoxy-6-methylbenzoic acid allyl ester
- IUPAC
- prop-2-enyl 2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-5-methoxy-6-methylbenzoate
名称と別名
SCHEMBL8867982ZCQDOHAQGFYALS-FQEVSTJZSA-N(R)-2-[2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl )-ethylsulfanylmethyl]-3-[dimethyl-(1,1,2-trimethylpropyl)-silanyloxy]-5-methoxy-6-methylbenzoic acid allyl ester(R)-2-[2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)-ethylsulfanyl-methyl]-3-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-5-methoxy-6-methylbenzoic acid allyl ester(R)-2-[2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)-ethylsulfanylmethyl]-3-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-5-methoxy-6-methylbenzoic acid allyl ester
データベース識別子
- PubChem CID
- 54540214
物性
構造計算による物性
- 極性表面積
- 135 Ų
- 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
- 14
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 726
関連反応
4 件
化合物ノート
読み込み中…