Chemical Compound

N-[3-[4-[3-(Chloroamino)propylamino]butylamino]propyl]-2 -[13-[[4-amino-5-methyl-2-[3-oxo-3-amino-1-[[2-amino-2-(aminocarbonyl)ethyl]amino]propyl]pyrimidine-6-yl]carbonylamino]-14-(1H-imidazole-4-yl)-14-[2beta-[3beta,5alpha-dihydroxy-6beta-(hydroxymethyl)-4beta-(aminocarbonyloxy)tetrahydro-2H-pyran-2alpha-yloxy]-3beta,4alpha-dihydroxy-5beta-(hydroxymethyl)cyclohexane-1beta-yloxy]-4-methylene-5-(1-hydroxyethyl)-7,12-dioxo-8,10-dimethyl-9-hydroxy-3,6,11-triazatetradecane-1-yl]-2,4 -bithiazole-4-carboxamide

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N-[3-[4-[3-(Chloroamino)propylamino]butylamino]propyl]-2 -[13-[[4-amino-5-methyl-2-[3-oxo-3-amino-1-[[2-amino-2-(aminocarbonyl)ethyl]amino]propyl]pyrimidine-6-yl]carbonylamino]-14-(1H-imidazole-4-yl)-14-[2beta-[3beta,5alpha-dihydroxy-6beta-(hydroxymethyl)-4beta-(aminocarbonyloxy)tetrahydro-2H-pyran-2alpha-yloxy]-3beta,4alpha-dihydroxy-5beta-(hydroxymethyl)cyclohexane-1beta-yloxy]-4-methylene-5-(1-hydroxyethyl)-7,12-dioxo-8,10-dimethyl-9-hydroxy-3,6,11-triazatetradecane-1-yl]-2,4 -bithiazole-4-carboxamide 结构式
Primary record

N-[3-[4-[3-(Chloroamino)propylamino]butylamino]propyl]-2 -[13-[[4-amino-5-methyl-2-[3-oxo-3-amino-1-[[2-amino-2-(aminocarbonyl)ethyl]amino]propyl]pyrimidine-6-yl]carbonylamino]-14-(1H-imidazole-4-yl)-14-[2beta-[3beta,5alpha-dihydroxy-6beta-(hydroxymethyl)-4beta-(aminocarbonyloxy)tetrahydro-2H-pyran-2alpha-yloxy]-3beta,4alpha-dihydroxy-5beta-(hydroxymethyl)cyclohexane-1beta-yloxy]-4-methylene-5-(1-hydroxyethyl)-7,12-dioxo-8,10-dimethyl-9-hydroxy-3,6,11-triazatetradecane-1-yl]-2,4 -bithiazole-4-carboxamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
102579084
SMILES
CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)O[C@@H]3C[C@@H]([C@H]([C@@H]([C@@H]3O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)O)O)CO)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=C)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCNCCCNCl)O
Canonical SMILES
C=C(NCCc1nc(-c2nc(C(=O)NCCCNCCCCNCCCNCl)cs2)cs1)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c1C)C(O[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1cnc[nH]1)C(C)O

名称与同义词

  • Boanmycin
  • J2.771.862K
  • (2R,3S,4S,5R,6R)-2-{[(1S,2S,3R,4R,6R)-6-{2-[(6-amino-2-{1-[(2-amino-2-carbamoylethyl)amino]-2-carbamoylethyl}-5-methylpyrimidin-4-yl)formamido]-2-{[4-({2-[(2-{4-[4-({3-[(4-{[3-(chloroamino)propyl]amino}butyl)amino]propyl}carbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl}ethyl)amino]-4-hydroxypent-1-en-3-yl}carbamoyl)-3-hydroxy-4-methylbutan-2-yl]carbamoyl}-1-(1H-imidazol-4-yl)ethoxy}-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl carbamate
  • N-[3-[4-[3-(Chloroamino)propylamino]butylamino]propyl]-2 -[13-[[4-amino-5-methyl-2-[3-oxo-3-amino-1-[[2-amino-2-(aminocarbonyl)ethyl]amino]propyl]pyrimidine-6-yl]carbonylamino]-14-(1H-imidazole-4-yl)-14-[2beta-[3beta,5alpha-dihydroxy-6beta-(hydroxymethyl)-4beta-(aminocarbonyloxy)tetrahydro-2H-pyran-2alpha-yloxy]-3beta,4alpha-dihydroxy-5beta-(hydroxymethyl)cyclohexane-1beta-yloxy]-4-methylene-5-(1-hydroxyethyl)-7,12-dioxo-8,10-dimethyl-9-hydroxy-3,6,11-triazatetradecane-1-yl]-2,4 -bithiazole-4-carboxamide