Chemical Compound

(3S)-3-[(2R,3R,4S,5R,6R)-5-[3-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylcarbothioylamino]butanoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid

CAS Registry Number 101411-71-6
返回搜索 申请报价
(3S)-3-[(2R,3R,4S,5R,6R)-5-[3-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylcarbothioylamino]butanoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid 结构式
Primary record

(3S)-3-[(2R,3R,4S,5R,6R)-5-[3-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylcarbothioylamino]butanoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid

库存
1,176 克
纯度
98.6 %
CAS
101411-71-6

化合物标识与属性

CAS
101411-71-6
PubChem CID
135565706
SMILES
C[C@H]1[C@@]([C@H](C[C@@H](O1)O[C@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)C(C(C)SC[C@@H](C(=O)O)NC(=O)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)COC(=O)C)[C@]3(CC(=O)C(=N)C(=C3O)C(=O)O)O)O)OC)([C@H](C)OC(=O)C(C)C)O
Canonical SMILES
CO[C@H]1C[C@H](O[C@H]2[C@@H](O)[C@H]([C@@]3(O)CC(=O)C(=N)C(C(=O)O)=C3O)O[C@H](COC(C)=O)[C@H]2OC(=O)C(NC(=S)SC[C@H](NC(C)=O)C(=O)O)C(C)SC[C@H](NC(C)=O)C(=O)O)O[C@@H](C)[C@]1(O)[C@H](C)OC(=O)C(C)C

名称与同义词

  • Paldimycin B
  • 3N3B8RVK1J
  • Antibiotic 273a1.beta.
  • Antibiotic 273 A1-beta
  • UNII-3N3B8RVK1J
  • SCHEMBL691985
  • NS00011800
  • Q27257702
  • 101411-71-6
  • (3S)-3-[(2R,3R,4S,5R,6R)-5-[3-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylcarbothioylamino]butanoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid
  • 2-Amino-5-(3-O-(2,6-dideoxy-4-C-((1S)-1-hydroxyethyl)-3-O-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-allopyranosyl)-5-hydroxy-3,6-dioxo-1-cyclohexene-1-carboxylic acid, 4'-(3-(((2R)-2-acetamido-2-carboxyethyl)thio)-2-((dithiocarboxy)amino)butyrate), 6'-acetate, 4''-C-isobutyrate, S-ester with N-acetyl-L-cysteine
  • 2-Amino-5-(3-O-(2,6-dideoxy-4-C-((1S)-1-hydroxyethyl)-3-O-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-allopyranosyl)-5-hydroxy-3,6-dioxo-1-cyclohexene-1-carboxylic acid, 4'-(3-(((2R)-2-acetamido-2-carboxyethyl)thio)-2-((dithiocarboxy)amino)butyrate), 6'-acetate, 4'-C-isobutyrate, S-ester with N-acetyl-L-cysteine
  • L-Cysteine, N-acetyl-, (2-((2-(acetylamino)-2-carboxyethyl)thio)-1-carboxypropyl)carbamodithioate (ester), 1'-4'-ester with 5-(6-O-acetyl-3-O-(2,6-dideoxy-3-O-methyl-4-C-(1-(2-methyl-1-oxopropoxy)ethyl)-alpha-L-lyxo-hexopyranosyl)-beta-D-allopyranosyl)-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexene-1-carboxylic acid
  • L-Cysteine, N-acetyl-, (2-((2-(acetylamino)-2-carboxyethyl)thio)-1-carboxypropyl)carbamodithioate (ester), 4'-ester with 5-(6-O-acetyl-3-O-(2,6-dideoxy-3-O-methyl-4-C-(1-(2-methyl-1-oxopropoxy)ethyl)-alpha-L-lyxo-hexopyranosyl)-beta-D-allopyranosyl)-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexene-1-carboxylic acid