Chemical Compound

(2R,3S,4S,5R,6R)-2-{[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-({6-amino-2-[(1S)-1-{[(2S)-2-amino-2-carbamoylethyl]amino}-2-carbamoylethyl]-5-methylpyrimidin-4-yl}formamido)-2-{[(2R,3S,4S)-3-hydroxy-4-{[(1S,2R)-2-hydroxy-1-{[2-(4-{4-[(3-{[(1S)-1-phenylethyl]amino}propyl)carbamoyl]-1,3-thiazol-2-yl}-4,5-dihydro-1,3-thiazol-2-yl)ethyl]carbamoyl}propyl]carbamoyl}-4-methylbutan-2-yl]carbamoyl}-1-(1H-imidazol-4-yl)ethoxy]-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,2S)-2-({6-amino-2-[(1S)-1-{[(2S)-2-amino-2-carbamoylethyl]amino}-2-carbamoylethyl]-5-methylpyrimidin-4-yl}formamido)-2-{[(2R,3S,4S)-3-hydroxy-4-{[(1S,2R)-2-hydroxy-1-{[2-(4-{4-[(3-{[(1S)-1-phenylethyl]amino}propyl)carbamoyl]-1,3-thiazol-2-yl}-4,5-dihydro-1,3-thiazol-2-yl)ethyl]carbamoyl}propyl]carbamoyl}-4-methylbutan-2-yl]carbamoyl}-1-(1H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl carbamate 结构式
Primary record

(2R,3S,4S,5R,6R)-2-{[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-({6-amino-2-[(1S)-1-{[(2S)-2-amino-2-carbamoylethyl]amino}-2-carbamoylethyl]-5-methylpyrimidin-4-yl}formamido)-2-{[(2R,3S,4S)-3-hydroxy-4-{[(1S,2R)-2-hydroxy-1-{[2-(4-{4-[(3-{[(1S)-1-phenylethyl]amino}propyl)carbamoyl]-1,3-thiazol-2-yl}-4,5-dihydro-1,3-thiazol-2-yl)ethyl]carbamoyl}propyl]carbamoyl}-4-methylbutan-2-yl]carbamoyl}-1-(1H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl carbamate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101826975
SMILES
CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([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)NCCCN[C@@H](C)C7=CC=CC=C7)O
Canonical SMILES
Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCC1=NC(c2nc(C(=O)NCCCN[C@@H](C)c3ccccc3)cs2)CS1)[C@@H](C)O)[C@@H](O[C@@H]1O[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

名称与同义词

  • Phleomycin PEP
  • J247.854D
  • N1-[3-[[(S)-1-Phenylethyl]amino]propyl]-7,8-dihydrobleomycinamide
  • (2R,3S,4S,5R,6R)-2-{[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-({6-amino-2-[(1S)-1-{[(2S)-2-amino-2-carbamoylethyl]amino}-2-carbamoylethyl]-5-methylpyrimidin-4-yl}formamido)-2-{[(2R,3S,4S)-3-hydroxy-4-{[(1S,2R)-2-hydroxy-1-{[2-(4-{4-[(3-{[(1S)-1-phenylethyl]amino}propyl)carbamoyl]-1,3-thiazol-2-yl}-4,5-dihydro-1,3-thiazol-2-yl)ethyl]carbamoyl}propyl]carbamoyl}-4-methylbutan-2-yl]carbamoyl}-1-(1H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl carbamate