Chemical Compound

[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[[(1R,2S,3S)-2-hydroxy-4-[[(1S,2R)-2-hydroxy-1-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]propyl]amino]-1,3-dimethyl-4-oxo-butyl]amino]-1-(1H-imidazol-5-yl)-3-oxo-propoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] carbamate

CAS Registry Number 41089-03-6
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[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[[(1R,2S,3S)-2-hydroxy-4-[[(1S,2R)-2-hydroxy-1-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]propyl]amino]-1,3-dimethyl-4-oxo-butyl]amino]-1-(1H-imidazol-5-yl)-3-oxo-propoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] carbamate 结构式
Primary record

[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[[(1R,2S,3S)-2-hydroxy-4-[[(1S,2R)-2-hydroxy-1-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]propyl]amino]-1,3-dimethyl-4-oxo-butyl]amino]-1-(1H-imidazol-5-yl)-3-oxo-propoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] carbamate

库存
6,331 克
纯度
99.3 %
CAS
41089-03-6

化合物标识与属性

CAS
41089-03-6
PubChem CID
5490229
SMILES
CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)NC([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCSC)O
Canonical SMILES
CSCCCNC(=O)c1csc(-c2csc(CCNC(=O)[C@@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)C(NC(=O)c3nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc(N)c3C)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]3O)c3cnc[nH]3)[C@@H](C)O)n2)n1

名称与同义词

  • Demethylbleomycin A2
  • N1-(3-(Methylthio)propyl)bleomycinamide
  • AC1NURO8
  • UNII-5PEB269DER
  • 5PEB269DER
  • C54H81N17O21S3
  • CID5490229
  • 41089-03-6
  • n1-[3-(methylthio)propyl]bleomycinamide
  • Bleomycinamide, N1-(3-(methylthio)propyl)-
  • [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-3-hydroxy-5-[[(2S,3R)-3-hydroxy-1-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
  • [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[[(1R,2S,3S)-2-hydroxy-4-[[(1S,2R)-2-hydroxy-1-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]propyl]amino]-1,3-dimethyl-4-oxo-butyl]amino]-1-(1H-imidazol-5-yl)-3-oxo-propoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] carbamate