Chemical Compound

[(4S,5beta)-3-[1,1-Dioxo-6-[2-[4-(2-oxo-2-aminoethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-1-thia(VI)-2-azaacenaphthene-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid]anion

CAS Registry Number 436099-66-0
[(4S,5beta)-3-[1,1-Dioxo-6-[2-[4-(2-oxo-2-aminoethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-1-thia(VI)-2-azaacenaphthene-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid]anion 结构式
Primary record

[(4S,5beta)-3-[1,1-Dioxo-6-[2-[4-(2-oxo-2-aminoethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-1-thia(VI)-2-azaacenaphthene-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid]anion

库存
2,392 克
纯度
98.7 %
CAS
436099-66-0

化合物标识与属性

CAS
436099-66-0
PubChem CID
9831087
SMILES
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1CN3C4=CC=CC5=C(C=CC(=C54)S3(=O)=O)CC[N+]67CC[N+](CC6)(CC7)CC(=O)N)C(=O)O)[C@@H](C)O
Canonical SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3c4cccc5c(CC[N+]67CC[N+](CC(N)=O)(CC6)CC7)ccc(c45)S3(=O)=O)[C@H](C)[C@H]12

名称与同义词

  • CHEMBL1626680
  • DTXSID001098167
  • CID9831087
  • CID 9831087
  • (4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate
  • 436099-66-0
  • [(4S,5beta)-3-[1,1-Dioxo-6-[2-[4-(2-oxo-2-aminoethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-1-thia(VI)-2-azaacenaphthene-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid]anion
  • 1-(2-Amino-2-oxoethyl)-4-[2-[2-[[(4S,5R,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-1,1-dioxido-2H-naphth[1,8-cd]isothiazol-6-yl]ethyl]-1,4-diazoniabicyclo[2.2.2]octane
  • 2-[[(5beta)-2-Carboxy-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-3-yl]methyl]-6-[2-[4-(carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide