(2R,3S,5R,6R) 2-(N-Acetyl)carbamoyloxymethyl-2-methyl-6-phenylacetamidopenam-3 carboxylic Acid p-Nitrobenzyl Ester

HCID 12817543

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

相关反应

4 条

化合物笔记

加载中…