Chemical Compound

(2S,3R,4S,6S)-3-hydroxy-6-{[(2S,5Z,9R,10S,13E)-9-hydroxy-2-{[(2R,3R,4S,5S,6R)-4-hydroxy-5-({[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-(methylsulfanyl)oxan-2-yl]oxy}amino)-3-{[(2S,4S,5S)-4-methoxy-5-[(propan-2-yl)amino]oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-12-[(methoxycarbonyl)amino]-13-{2-[(methyldisulfanyl)disulfanyl]ethylidene}-11-oxobicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-10-yl]oxy}-2-methyloxan-4-yl 4,5-dimethoxy-2-(2-methoxyprop-2-enamido)benzoate

CAS Registry Number 133978-90-2
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(2S,3R,4S,6S)-3-hydroxy-6-{[(2S,5Z,9R,10S,13E)-9-hydroxy-2-{[(2R,3R,4S,5S,6R)-4-hydroxy-5-({[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-(methylsulfanyl)oxan-2-yl]oxy}amino)-3-{[(2S,4S,5S)-4-methoxy-5-[(propan-2-yl)amino]oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-12-[(methoxycarbonyl)amino]-13-{2-[(methyldisulfanyl)disulfanyl]ethylidene}-11-oxobicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-10-yl]oxy}-2-methyloxan-4-yl 4,5-dimethoxy-2-(2-methoxyprop-2-enamido)benzoate 结构式
Primary record

(2S,3R,4S,6S)-3-hydroxy-6-{[(2S,5Z,9R,10S,13E)-9-hydroxy-2-{[(2R,3R,4S,5S,6R)-4-hydroxy-5-({[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-(methylsulfanyl)oxan-2-yl]oxy}amino)-3-{[(2S,4S,5S)-4-methoxy-5-[(propan-2-yl)amino]oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-12-[(methoxycarbonyl)amino]-13-{2-[(methyldisulfanyl)disulfanyl]ethylidene}-11-oxobicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-10-yl]oxy}-2-methyloxan-4-yl 4,5-dimethoxy-2-(2-methoxyprop-2-enamido)benzoate

库存
6,278 克
纯度
99.4 %
CAS
133978-90-2

化合物标识与属性

CAS
133978-90-2
PubChem CID
44575616
SMILES
C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C#C/C=C\C#C[C@@]\3([C@@H](C(=O)C(=C2/C3=C\CSSSSC)NC(=O)OC)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)OC(=O)C5=CC(=C(C=C5NC(=O)C(=C)OC)OC)OC)O)O[C@H]6C[C@@H]([C@H](CO6)NC(C)C)OC)O)NO[C@H]7C[C@@H]([C@@H]([C@H](O7)C)SC)O
Canonical SMILES
C=C(OC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)O[C@H]1C[C@H](O[C@@H]2C(=O)C(NC(=O)OC)=C3/C(=C\CSSSSC)[C@]2(O)C#C/C=C\C#C[C@@H]3O[C@@H]2O[C@H](C)[C@@H](NO[C@H]3C[C@H](O)[C@H](SC)[C@@H](C)O3)[C@H](O)[C@H]2O[C@H]2C[C@H](OC)[C@@H](NC(C)C)CO2)O[C@@H](C)[C@H]1O

名称与同义词

  • Esperamicin P
  • CHEMBL446565
  • C59H80N4O22S5
  • BMY 41339
  • BMY-41339
  • C59-H80-N4-O22-S5
  • J612.766E
  • (2S,3R,4S,6S)-3-hydroxy-6-{[(2S,5Z,9R,10S,13E)-9-hydroxy-2-{[(2R,3R,4S,5S,6R)-4-hydroxy-5-({[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-(methylsulfanyl)oxan-2-yl]oxy}amino)-3-{[(2S,4S,5S)-4-methoxy-5-[(propan-2-yl)amino]oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-12-[(methoxycarbonyl)amino]-13-{2-[(methyldisulfanyl)disulfanyl]ethylidene}-11-oxobicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-10-yl]oxy}-2-methyloxan-4-yl 4,5-dimethoxy-2-(2-methoxyprop-2-enamido)benzoate
  • 133978-90-2