3(R)-t-butoxycarbonylamino-N-(2,2-dimethyl-1(S)-methylcarbamoylpropyl)succinamic acid benzyl ester

HCID 53706532

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

関連反応

41 件

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