基本情報
- 標準SMILES
CNC(=O)[C@@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)(C)C- InChIKey
BXOSNBNCMAIEKS-SJLPKXTDSA-N- 分子式
- C23H35N3O6
- 平均分子量
- 449.5 g/mol
- 単同位体質量
- 449.25258584
名称と識別子
- 優先名称
- 3(R)-t-butoxycarbonylamino-N-(2,2-dimethyl-1(S)-methylcarbamoylpropyl)succinamic acid benzyl ester
- IUPAC
- benzyl (3R)-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
名称と別名
SCHEMBL7406802BXOSNBNCMAIEKS-SJLPKXTDSA-N3(R)-t- butyloxycarbonylamino-N-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)succinamic acid benzyl ester3(R)-t-butoxycarbonylamino-N-(2, 2-dimethyl-1(S)-(methylcarbamoyl)propyl)succinamic acid benzyl ester3(R)-t-butoxycarbonylamino-N-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)succinamic acid benzyl ester3(R)-t-butoxycarbonylamino-N-(2,2-dimethyl-1(S)-(methylcarbarnoyl)propyl)succinamic acid benzyl ester3(R)-t-butoxycarbonylamino-N-(2,2-dimethyl-1(S)-methylcarbamoylpropyl)succinamic acid benzyl ester3(R)-t-butyloxycarbonylamino-N-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)succinamic acid benzyl ester3(R)-t-butyloxycarbonylamino-N-(2,2-dimethyl-1(S)-(methylcarbarnoyl)propyl)succinamic acid benzyl ester3-(R)-t-butoxycarbonylamino-N-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)succinamic acid benzyl esterN-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)-3(R)-t-butoxycarbonylamino-succinamic acid benzyl esterN-(2,2-dimethyl-1(S)-(methylcarbarnoyl)propyl)-3(R)-t-butoxycarbonylamino-succinamic acid benzyl ester
データベース識別子
- PubChem CID
- 53706532
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 123 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 6
- 回転可能結合数
- 12
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 660
関連反応
41 件
化合物ノート
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