Chemical Compound

(4R)-4-(((2S)-2-(((4R)-2-((1S)-1-amino-2-methylpropyl)-4,5-dihydro-1,3-thiazole-4-carbonyl)amino)-4-methylpentanoyl)amino)-5-(((2S,3S)-1-(4-((2S,5R,8S,11R,14S,17R,20S)-20-(2-amino-2-oxoethyl)-5-(3-aminopropyl)-11-benzyl-8-((2S)-butan-2-yl)-17-(carboxymethyl)-14-(1H-imidazol-5-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl)butylamino)-3-methyl-1-oxopentan-2-yl)amino)-5-oxopentanoic acid

CAS Registry Number 57762-79-5
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(4R)-4-(((2S)-2-(((4R)-2-((1S)-1-amino-2-methylpropyl)-4,5-dihydro-1,3-thiazole-4-carbonyl)amino)-4-methylpentanoyl)amino)-5-(((2S,3S)-1-(4-((2S,5R,8S,11R,14S,17R,20S)-20-(2-amino-2-oxoethyl)-5-(3-aminopropyl)-11-benzyl-8-((2S)-butan-2-yl)-17-(carboxymethyl)-14-(1H-imidazol-5-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl)butylamino)-3-methyl-1-oxopentan-2-yl)amino)-5-oxopentanoic acid 结构式
Primary record

(4R)-4-(((2S)-2-(((4R)-2-((1S)-1-amino-2-methylpropyl)-4,5-dihydro-1,3-thiazole-4-carbonyl)amino)-4-methylpentanoyl)amino)-5-(((2S,3S)-1-(4-((2S,5R,8S,11R,14S,17R,20S)-20-(2-amino-2-oxoethyl)-5-(3-aminopropyl)-11-benzyl-8-((2S)-butan-2-yl)-17-(carboxymethyl)-14-(1H-imidazol-5-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl)butylamino)-3-methyl-1-oxopentan-2-yl)amino)-5-oxopentanoic acid

库存
4,253 克
纯度
99.4 %
CAS
57762-79-5

化合物标识与属性

CAS
57762-79-5
PubChem CID
10103008
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CCCN)CCCCNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@H](C(C)C)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSC([C@@H](N)C(C)C)=N1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC1=O

名称与同义词

  • Bacitracin B1
  • Bacitracin B1 (acetate)
  • RefChem:1077455
  • DTXCID60809516
  • DTXSID30206452
  • CHEBI:205210
  • BBF-04325
  • CID10103008
  • CID 10103008
  • 3968434C0D
  • 57762-79-5
  • (4R)-4-(((2S)-2-(((4R)-2-((1S)-1-amino-2-methylpropyl)-4,5-dihydro-1,3-thiazole-4-carbonyl)amino)-4-methylpentanoyl)amino)-5-(((2S,3S)-1-(4-((2S,5R,8S,11R,14S,17R,20S)-20-(2-amino-2-oxoethyl)-5-(3-aminopropyl)-11-benzyl-8-((2S)-butan-2-yl)-17-(carboxymethyl)-14-(1H-imidazol-5-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl)butylamino)-3-methyl-1-oxopentan-2-yl)amino)-5-oxopentanoic acid
  • (4R)-4-[[(2S)-2-[[(4R)-2-[(1S)-1-amino-2-methylpropyl]-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[(2S,3S)-1-[4-[(2S,5R,8S,11R,14S,17R,20S)-20-(2-amino-2-oxoethyl)-5-(3-aminopropyl)-11-benzyl-8-[(2S)-butan-2-yl]-17-(carboxymethyl)-14-(1H-imidazol-5-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]butylamino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
  • (R)-5-(((2S,3S)-1-(((3S,6R,9S,12R,15S,18R,21S)-9-((1H-Imidazol-5-yl)methyl)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxymethyl)-15-isopropyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-4-((S)-2-((R)-2-((1S,2S)-1-amino-2-methylbutyl)-4,5-dihydrothiazole-4-carboxamido)-4-methylpentanamido)-5-oxopentanoic acid
  • Bacitracin F, 1-[N-[[2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl]carbonyl]-L-leucine]-6-L-valine-