Chemical Compound

2,2'-((6R,9S,12R,15S,18R,21S)-9-((1H-imidazol-4-yl)methyl)-21-(2-(2-(2-(2-(1-amino-2-methylbutyl)-4,5-dihydrothiazole-5-carboxamido)-4-methylpentanamido)-4-carboxybutanamido)-3-methylpentanamido)-18-(3-aminopropyl)-12-benzyl-15-((R)-sec-butyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosane-3,6-diyl)diacetic acid

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2,2'-((6R,9S,12R,15S,18R,21S)-9-((1H-imidazol-4-yl)methyl)-21-(2-(2-(2-(2-(1-amino-2-methylbutyl)-4,5-dihydrothiazole-5-carboxamido)-4-methylpentanamido)-4-carboxybutanamido)-3-methylpentanamido)-18-(3-aminopropyl)-12-benzyl-15-((R)-sec-butyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosane-3,6-diyl)diacetic acid 结构式
Primary record

2,2'-((6R,9S,12R,15S,18R,21S)-9-((1H-imidazol-4-yl)methyl)-21-(2-(2-(2-(2-(1-amino-2-methylbutyl)-4,5-dihydrothiazole-5-carboxamido)-4-methylpentanamido)-4-carboxybutanamido)-3-methylpentanamido)-18-(3-aminopropyl)-12-benzyl-15-((R)-sec-butyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosane-3,6-diyl)diacetic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177830917
SMILES
CC[C@@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NC(C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2CN=C(S2)C(C(C)CC)N)CC(=O)O)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4
Canonical SMILES
CCC(C)C(N)C1=NCC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N[C@H]2CCCCNC(=O)C(CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)C(C)CC)S1

名称与同义词

  • Bacitracin Xa
  • 2,2'-((6R,9S,12R,15S,18R,21S)-9-((1H-imidazol-4-yl)methyl)-21-(2-(2-(2-(2-(1-amino-2-methylbutyl)-4,5-dihydrothiazole-5-carboxamido)-4-methylpentanamido)-4-carboxybutanamido)-3-methylpentanamido)-18-(3-aminopropyl)-12-benzyl-15-((R)-sec-butyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosane-3,6-diyl)diacetic acid