基本情報
- 標準SMILES
CCN(CC)C(=O)c1ccccc1S(=O)(=O)C1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]2[C@H]1C- InChIKey
ZPSXOIZSHDSPBQ-TUJIQRHUSA-N- 分子式
- C34H45N3O9SSi
- 平均分子量
- 699.9 g/mol
名称と識別子
- 優先名称
- 4-nitrobenzyl (1R, 5S,6S)-2-(2-diethylcarbamoylphenylsulfonyl)-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate
- IUPAC
- (4-nitrophenyl)methyl (4R,5S,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[2-(diethylcarbamoyl)phenyl]sulfonyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
名称と別名
4-nitrobenzyl (1R,5S,6S)-2-(2-diethylcarbamoylphenylsulfonyl)-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate4-nitrobenzyl (1R,5S,6S)-2-(2-diethylcarbamoylphenylsulfonyl]-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylateZPSXOIZSHDSPBQ-TUJIQRHUSA-N4-nitrobenzyl (1R, 5S,6S)-2-(2-diethylcarbamoylphenylsulfonyl)-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate
データベース識別子
- PubChem CID
- 10974512
- Nikkaji
- J973.217I
物性
構造計算による物性
- 極性表面積
- 164 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 9
- 回転可能結合数
- 13
- 重原子数
- 48
- 形式電荷
- 0
- 複雑度
- 1,390
関連反応
4 件
化合物ノート
読み込み中…