4-nitrobenzyl (1R, 5S,6S)-2-(2-diethylcarbamoylphenylsulfinyl)-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate

HCID 11028830

基本情報

標準SMILES
CCN(CC)C(=O)c1ccccc1S(=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
OBDFVWJAJGLPBW-YNDFXTJRSA-N
分子式
C34H45N3O8SSi
平均分子量
683.9 g/mol
単同位体質量
683.26966311

名称と識別子

優先名称
4-nitrobenzyl (1R, 5S,6S)-2-(2-diethylcarbamoylphenylsulfinyl)-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]sulfinyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

名称と別名

OBDFVWJAJGLPBW-YNDFXTJRSA-N4-nitrobenzyl (1R, 5S,6S)-2-(2-diethylcarbamoylphenylsulfinyl)-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate4-nitrobenzyl (1R,5S,6S)-2-(2-diethylcarbamoylphenylsulfinyl)-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate

データベース識別子

PubChem CID
11028830
Nikkaji
J973.215B

物性

構造計算による物性

極性表面積
158 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
47

関連反応

17 件

化合物ノート

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