Chemical Compound

2'-[1-(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methylpyrimidin-4-yl)-3-[{[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}(1H-imidazol-5-yl)methyl]-7-hydroxy-11-(1-hydroxyethyl)-6,8-dimethyl-1,4,9,12-tetraoxo-2,5,10,13-tetraazapentadecan-15-yl]-N-{3-[(1-phenylethyl)amino]propyl}[2,4'-bi-1,3-thiazole]-4-carboxamide

CAS Registry Number 102629-88-9
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2'-[1-(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methylpyrimidin-4-yl)-3-[{[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}(1H-imidazol-5-yl)methyl]-7-hydroxy-11-(1-hydroxyethyl)-6,8-dimethyl-1,4,9,12-tetraoxo-2,5,10,13-tetraazapentadecan-15-yl]-N-{3-[(1-phenylethyl)amino]propyl}[2,4'-bi-1,3-thiazole]-4-carboxamide 结构式
Primary record

2'-[1-(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methylpyrimidin-4-yl)-3-[{[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}(1H-imidazol-5-yl)methyl]-7-hydroxy-11-(1-hydroxyethyl)-6,8-dimethyl-1,4,9,12-tetraoxo-2,5,10,13-tetraazapentadecan-15-yl]-N-{3-[(1-phenylethyl)amino]propyl}[2,4'-bi-1,3-thiazole]-4-carboxamide

库存
729 克
纯度
99.8 %
CAS
102629-88-9

化合物标识与属性

CAS
102629-88-9
PubChem CID
71300732
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]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)O)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNC(C)C7=CC=CC=C7)O
Canonical SMILES
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNC(C)c3ccccc3)cs2)cs1)C(C)O)C(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](O)[C@@H]1O)c1cnc[nH]1

名称与同义词

  • Decarbamoylpepleomycin
  • Pepleomycin, decarbamoyl-
  • RefChem:368301
  • DTXSID60145421
  • DTXCID1067912
  • C60H87N17O20S2
  • C60-H87-N17-O20-S2
  • 102629-88-9
  • 2'-[1-(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methylpyrimidin-4-yl)-3-[{[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}(1H-imidazol-5-yl)methyl]-7-hydroxy-11-(1-hydroxyethyl)-6,8-dimethyl-1,4,9,12-tetraoxo-2,5,10,13-tetraazapentadecan-15-yl]-N-{3-[(1-phenylethyl)amino]propyl}[2,4'-bi-1,3-thiazole]-4-carboxamide