Chemical Compound

1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-1-[3-[[[(2S,4S)-4-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-2-pyrrolidinyl]carbonyl]amino]benzoyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4R,5S,6S)-

CAS Registry Number 1199797-43-7
返回搜索 申请报价
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-1-[3-[[[(2S,4S)-4-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-2-pyrrolidinyl]carbonyl]amino]benzoyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4R,5S,6S)- 结构式
Primary record

1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-1-[3-[[[(2S,4S)-4-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-2-pyrrolidinyl]carbonyl]amino]benzoyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4R,5S,6S)-

库存
8,232 克
纯度
98.6 %
CAS
1199797-43-7

化合物标识与属性

CAS
1199797-43-7
PubChem CID
58344480
SMILES
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)N5C[C@H](C[C@H]5C(=O)NC6=CC=CC(=C6)C(=O)O)SC7=C(N8[C@H]([C@H]7C)[C@H](C8=O)[C@@H](C)O)C(=O)O)C(=O)O)[C@@H](C)O
Canonical SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)N5C[C@@H](SC6=C(C(=O)O)N7C(=O)[C@H]([C@@H](C)O)[C@H]7[C@H]6C)C[C@H]5C(=O)Nc5cccc(C(=O)O)c5)c4)C3)[C@H](C)[C@H]12

名称与同义词

  • Ertapenem N-Carbonyl Dimer Impurity
  • Ertapenem Impurity 10
  • Ertapenem Dimer-H2O A
  • 1199797-43-7
  • 97VY32S7GT
  • Ertapenem sodium dimer hydrate a
  • SCHEMBL12422722
  • DTXSID00729123
  • QPSFVRZTQQVRAQ-BNCIILEKSA-N
  • ZINC306122182
  • FT-0667962
  • J1.608.758K
  • (4R,5S,6S)-3-[[(3S,5S)-1-[3-[[[(2S,4S)-4-[[(4R,5S,6S)-2-Carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-2-pyrrolidinyl]carbonyl]amino]benzoyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid
  • Ertapenem Impurity 8 (Ertapenem N-Carbonyl Dimer Impurity)
  • (4R,5S,6S)-3-[(3S,5S)-5-[[3-[(2S,4S)-4-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]-2-[(3-carboxyphenyl)carbamoyl]pyrrolidine-1-carbonyl]phenyl]carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4R,5S,6S)-3-[[(3S,5S)-1-[3-[[[(2S,4S)-4-[[(4R,5S,6S)-2-Carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-2-pyrrolidinyl]carbonyl]amino]benzoyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydro
  • (4R,5S,6S)-3-(((3S,5S)-5-((3-((2S,4S)-4-(((4R,5S,6S)-2-carboxy-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl)thio)-2-((3-carboxyphenyl)carbamoyl)pyrrolidine-1-carbonyl)phenyl)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)-5-[(3-{(2S,4S)-4-({(4R,5S,6S)-2-Carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl}sulfanyl)-2-[(3-carboxyphenyl)carbamoyl]pyrrolidine-1-carbonyl}phenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4R,5S,6S)-3-{[(3S,5S)-5-({3-[(2S,4S)-4-{[(4R,5S,6S)-2-CARBOXY-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-1-AZABICYCLO[3.2.0]HEPT-2-EN-3-YL]SULFANYL}-2-[(3-CARBOXYPHENYL)CARBAMOYL]PYRROLIDINE-1-CARBONYL]PHENYL}CARBAMOYL)PYRROLIDIN-3-YL]SULFANYL}-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-1-[3-[[[(2S,4S)-4-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-2-pyrrolidinyl]carbonyl]amino]benzoyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4R,5S,6S)-
  • 3,3 -[Thio(3beta,5beta-pyrrolidinediyl)carbonylimino(1,3-phenylene)carbonyl[5beta-(3-carboxyphenylcarbamoyl)-1,3beta-pyrrolidinediyl]thio]bis[(4R,5S,6S)-4-methyl-6-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid]
  • 3-[[(4S)-4alpha-[[(4R,5S,6S)-2-Carboxy-4-methyl-6-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-3-yl]thio]-1-[3-[[(4S)-4alpha-[[(4R,5S,6S)-2-carboxy-4-methyl-6-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-3-yl]thio]prolyl]amino]benzoyl]prolyl]amino]benzoic acid