Chemical Compound

(4R,5S,6S)-3-(((3S,5S)-1-((3R)-2-(1-carboxy-2-hydroxypropyl)-4-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-3-methyl-3,4-dihydro-2H-pyrrole-5-carbonyl)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(4R,5S,6S)-3-(((3S,5S)-1-((3R)-2-(1-carboxy-2-hydroxypropyl)-4-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-3-methyl-3,4-dihydro-2H-pyrrole-5-carbonyl)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 结构式
Primary record

(4R,5S,6S)-3-(((3S,5S)-1-((3R)-2-(1-carboxy-2-hydroxypropyl)-4-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-3-methyl-3,4-dihydro-2H-pyrrole-5-carbonyl)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177835625
SMILES
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)C4=NC([C@H](C4S[C@H]5C[C@H](NC5)C(=O)NC6=CC=CC(=C6)C(=O)O)C)C(C(C)O)C(=O)O)C(=O)NC7=CC=CC(=C7)C(=O)O)C(=O)O)[C@@H](C)O
Canonical SMILES
CC(O)C(C(=O)O)C1N=C(C(=O)N2C[C@@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)C[C@H]2C(=O)Nc2cccc(C(=O)O)c2)C(S[C@@H]2CN[C@H](C(=O)Nc3cccc(C(=O)O)c3)C2)[C@@H]1C

名称与同义词

  • Ertapenem Impurity 45
  • (4R,5S,6S)-3-(((3S,5S)-1-((3R)-2-(1-carboxy-2-hydroxypropyl)-4-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-3-methyl-3,4-dihydro-2H-pyrrole-5-carbonyl)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid