基本情報
- 標準SMILES
CC(=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C2N=C(COc3ccccc3)SC21)N1CCOCC1- InChIKey
LZHVQHUFGCZXST-UHFFFAOYSA-N- 分子式
- C26H26N4O7S
- 平均分子量
- 538.6 g/mol
- 単同位体質量
- 538.15222035
名称と識別子
- 優先名称
- p-Nitrobenzyl alpha-(3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo(3,2,0)hept-2-en-6-yl)-alpha-(1-morpholinoethylidene)acetate
- IUPAC
- (4-nitrophenyl)methyl 3-morpholin-4-yl-2-[7-oxo-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]but-2-enoate
名称と別名
p-Nitrobenzyl alpha-(3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo(3,2,0)hept-2-en-6-yl)-alpha-(1-morpholinoethylidene)acetatep-Nitrobenzyl alpha-(3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl)-alpha-(1-morpholinoethylidene)acetatep-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-morpholinoethylidene)acetateSCHEMBL11051878LZHVQHUFGCZXST-UHFFFAOYSA-Np-Nitrobenzyl alpha-(3phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo(3,2,0)hept-2-en-6-yl)-alpha-(1-morpholinoethylidene)acetatep-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]-hept-2-en-6-yl]-alpha-(1-morpholinoethylidene)-acetatep-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-morpholinoethylidene)-acetate
データベース識別子
- PubChem CID
- 54060416
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 152 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 10
- 回転可能結合数
- 9
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 963
関連反応
22 件
化合物ノート
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