Chemical Compound

N-[(3S,6S,12R,15S,16R,19S,22S)-25-({1-azabicyclo[2.2.2]octan-3-ylsulfanyl}methyl)-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide

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N-[(3S,6S,12R,15S,16R,19S,22S)-25-({1-azabicyclo[2.2.2]octan-3-ylsulfanyl}methyl)-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide 结构式
Primary record

N-[(3S,6S,12R,15S,16R,19S,22S)-25-({1-azabicyclo[2.2.2]octan-3-ylsulfanyl}methyl)-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
59915337
SMILES
CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CC(C(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CSC6CN7CCC6CC7)CC8=CC=C(C=C8)N(C)C)C
Canonical SMILES
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)C(CSC3CN4CCC3CC4)CN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O

名称与同义词

  • J543.561G
  • N-[(3-Hydroxy-2-pyridinyl)carbonyl]cyclo[L-Thr*-D-Abu-L-Pro-N-methyl-4-(dimethylamino)-L-Phe-4-oxo-5-[(1-azabicyclo[2.2.2]octan-3-ylthio)methyl]-L-Pip-L-phenyl Gly-]
  • N-[(3S,6S,12R,15S,16R,19S,22S)-25-({1-azabicyclo[2.2.2]octan-3-ylsulfanyl}methyl)-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide