基本信息
- 标准SMILES
CC(=O)NC(=O)OC[C@]1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
JUVYUPMAXQZFHV-HRKISDNUSA-N- 分子式
- C26H26N4O9S
- 平均分子量
- 570.6 g/mol
- 单同位素质量
- 570.14204959
名称与标识
- 首选名称
- (2R,3S,5R,6R) 2-(N-Acetyl)carbamoyloxymethyl-2-methyl-6-phenylacetamidopenam-3 carboxylic Acid p-Nitrobenzyl Ester
- IUPAC
- (4-nitrophenyl)methyl (2S,3R,5R,6R)-3-(acetylcarbamoyloxymethyl)-3-methyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
名称与别名
SCHEMBL11001683JUVYUPMAXQZFHV-HRKISDNUSA-N(2R,3S,5R,6R) 2-(N-Acetyl)carbamoyloxymethyl-2-methyl-6-phenylacetamidopenam-3 carboxylic Acid p-Nitrobenzyl Ester(2R,3S,5R,6R) 2-(N-Acetyl)carbamoyloxymethyl-2-methyl-6-phenylacetamidopenam-3-carboxylic Acid p-Nitrobenzyl Ester
数据库标识
- PubChem CID
- 12817543
性质
结构计算性质
- XLogP
- 2.6
- 极性表面积
- 202 Ų
- 氢键供体
- 2
- 氢键受体
- 10
- 可旋转键
- 10
- 重原子
- 40
- 形式电荷
- 0
- 复杂度
- 1,020
相关反应
4 条
化合物笔记
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