Chemical Compound

5-[(3R,4S,5R,6R)-5-[(E)-2-[(2-acetamido-3-hydroxy-3-oxopropyl)sulfanylcarbothioylamino]but-2-enoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[1-(2-methylbutanoyloxy)ethyl]oxan-2-yl]oxyoxan-2-yl]-2-amino-5-hydroxy-3,6-dioxocyclohexene-1-carboxylic acid

CAS Registry Number 102326-69-2
返回搜索 申请报价
5-[(3R,4S,5R,6R)-5-[(E)-2-[(2-acetamido-3-hydroxy-3-oxopropyl)sulfanylcarbothioylamino]but-2-enoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[1-(2-methylbutanoyloxy)ethyl]oxan-2-yl]oxyoxan-2-yl]-2-amino-5-hydroxy-3,6-dioxocyclohexene-1-carboxylic acid 结构式
Primary record

5-[(3R,4S,5R,6R)-5-[(E)-2-[(2-acetamido-3-hydroxy-3-oxopropyl)sulfanylcarbothioylamino]but-2-enoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[1-(2-methylbutanoyloxy)ethyl]oxan-2-yl]oxyoxan-2-yl]-2-amino-5-hydroxy-3,6-dioxocyclohexene-1-carboxylic acid

库存
4,685 克
纯度
99.4 %
CAS
102326-69-2

化合物标识与属性

CAS
102326-69-2
PubChem CID
135412593
SMILES
CCC(C)C(=O)OC(C)[C@]1([C@@H](O[C@H](C[C@@H]1OC)O[C@@H]2[C@@H]([C@H](OC([C@@H]2O)C3(CC(=O)C(=N)C(=C3O)C(=O)O)O)COC(=O)C)OC(=O)/C(=C\C)/NC(=S)SCC(C(=O)O)NC(=O)C)C)O
Canonical SMILES
C/C=C(/NC(=S)SCC(NC(C)=O)C(=O)O)C(=O)O[C@H]1[C@@H](O[C@H]2C[C@H](OC)[C@@](O)(C(C)OC(=O)C(C)CC)[C@H](C)O2)[C@@H](O)C(C2(O)CC(=O)C(=N)C(C(=O)O)=C2O)O[C@@H]1COC(C)=O

名称与同义词

  • Antibiotic 273 A2-alpha
  • AC1O51UD
  • C39H55N3O20S2
  • CID6450511
  • C39-H55-N3-O20-S2
  • 102326-69-2
  • L-Cysteine, N-acetyl-, (1-carboxy-1-propenyl)carbamodithioate (ester), 4'-ester with 5-(6-O-acetyl-3-O-(2,6-dideoxy-3-O-methyl-4-C-(1-(2-methyl-1-oxobutoxy)ethyl)-alpha-L-lyxo-hexopyranosyl)-beta-D-allopyranosyl)-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexene-1-carboxylic acid
  • 5-[(3R,4S,5R,6R)-5-[(E)-2-[(2-acetamido-3-hydroxy-3-oxopropyl)sulfanylcarbothioylamino]but-2-enoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[1-(2-methylbutanoyloxy)ethyl]oxan-2-yl]oxyoxan-2-yl]-2-amino-5-hydroxy-3,6-dioxocyclohexene-1-carboxylic acid