Chemical Compound

((2R,3S,4S,5R,6S)-6-(((3aS,4R,6R,8R,9aS,10S)-4-((2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl)carbamoyl)-10-hydroxy-5-((2-methoxy-3-(sulfooxy)propanoyl)-D-leucyl)-2-oxooctahydro-2H-6,9a-methanooxazolo(4,5-c)azocin-8-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl hexanoate

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((2R,3S,4S,5R,6S)-6-(((3aS,4R,6R,8R,9aS,10S)-4-((2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl)carbamoyl)-10-hydroxy-5-((2-methoxy-3-(sulfooxy)propanoyl)-D-leucyl)-2-oxooctahydro-2H-6,9a-methanooxazolo(4,5-c)azocin-8-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl hexanoate 结构式
Primary record

((2R,3S,4S,5R,6S)-6-(((3aS,4R,6R,8R,9aS,10S)-4-((2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl)carbamoyl)-10-hydroxy-5-((2-methoxy-3-(sulfooxy)propanoyl)-D-leucyl)-2-oxooctahydro-2H-6,9a-methanooxazolo(4,5-c)azocin-8-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl hexanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
11445971
SMILES
CCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2C[C@@H]3[C@@H]([C@]4(C2)[C@H]([C@@H](N3C(=O)[C@@H](CC(C)C)NC(=O)C(COS(=O)(=O)O)OC)C(=O)NCCC5=CCN(C5)C(=N)N)NC(=O)O4)O)O)O)O
Canonical SMILES
CCCCCC(=O)OC[C@H]1O[C@H](O[C@@H]2C[C@@H]3[C@H](O)[C@@]4(C2)OC(=O)N[C@H]4[C@H](C(=O)NCCC2=CCN(C(=N)N)C2)N3C(=O)[C@@H](CC(C)C)NC(=O)C(COS(=O)(=O)O)OC)[C@H](O)[C@@H](O)[C@@H]1O

名称与同义词

  • Banyaside B
  • RefChem:116448
  • SCHEMBL29884700
  • CHEBI:225420
  • DTXSID501046230
  • CID11445971
  • CID 11445971
  • ((2R,3S,4S,5R,6S)-6-(((1S,5S,6R,8R,10R,12S)-6-(2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethylcarbamoyl)-12-hydroxy-7-((2R)-2-((2-methoxy-3-sulfooxypropanoyl)amino)-4-methylpentanoyl)-3-oxo-2-oxa-4,7-diazatricyclo(6.3.1.01,5)dodecan-10-yl)oxy)-3,4,5-trihydroxyoxan-2-yl)methyl hexanoate
  • ((2R,3S,4S,5R,6S)-6-(((3aS,4R,6R,8R,9aS,10S)-4-((2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl)carbamoyl)-10-hydroxy-5-((2-methoxy-3-(sulfooxy)propanoyl)-D-leucyl)-2-oxooctahydro-2H-6,9a-methanooxazolo(4,5-c)azocin-8-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl hexanoate
  • ((2R,3S,4S,5R,6S)-6-(((3aS,4R,6R,8R,9aS,10S)-4-((2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl)carbamoyl)-10-hydroxy-5-((2-methoxy-3-(sulfooxy)propanoyl)-D-leucyl)-2-oxooctahydro-2H-6,9a-methanooxazolo[4,5-c]azocin-8-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl hexanoate
  • [(2R,3S,4S,5R,6S)-6-[[(1S,5S,6R,8R,10R,12S)-6-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethylcarbamoyl]-12-hydroxy-7-[(2R)-2-[(2-methoxy-3-sulfooxypropanoyl)amino]-4-methylpentanoyl]-3-oxo-2-oxa-4,7-diazatricyclo[6.3.1.01,5]dodecan-10-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexanoate
  • [(2R,3S,4S,5R,6S)-6-[[(1S,5S,6R,8R,10R,12S)-6-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethylcarbamoyl]-12-hydroxy-7-[(2R)-2-[(2-methoxy-3-sulooxypropanoyl)amino]-4-methylpentanoyl]-3-oxo-2-oxa-4,7-diazatricyclo[6.3.1.01,5]dodecan-10-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexanoate