Chemical Compound

(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2R)-3-methyl-2-{3-[4-({4-[(1r,3r)-3-({4-[(1R,5S)-3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl}oxy)cyclobutoxy]piperidin-1-yl}methyl)piperidin-1-yl]-1,2-oxazol-5-yl}butanoyl]pyrrolidine-2-carboxamide

CAS Registry Number 2378056-80-3
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(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2R)-3-methyl-2-{3-[4-({4-[(1r,3r)-3-({4-[(1R,5S)-3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl}oxy)cyclobutoxy]piperidin-1-yl}methyl)piperidin-1-yl]-1,2-oxazol-5-yl}butanoyl]pyrrolidine-2-carboxamide 结构式
Primary record

(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2R)-3-methyl-2-{3-[4-({4-[(1r,3r)-3-({4-[(1R,5S)-3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl}oxy)cyclobutoxy]piperidin-1-yl}methyl)piperidin-1-yl]-1,2-oxazol-5-yl}butanoyl]pyrrolidine-2-carboxamide

库存
2,145 克
纯度
98.3 %
CAS
2378056-80-3

化合物标识与属性

CAS
2378056-80-3
PubChem CID
167714975
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)N5CCC(CC5)CN6CCC(CC6)OC7CC(C7)OC8=NC=CC(=C8)N9[C@@H]1CC[C@H]9CN(C1)C1=CC(=NN=C1N)C1=CC=CC=C1O)C(C)C)O
Canonical SMILES
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](c2cc(N3CCC(CN4CCC(OC5CC(Oc6cc(N7[C@@H]8CC[C@H]7CN(c7cc(-c9ccccc9O)nnc7N)C8)ccn6)C5)CC4)CC3)no2)C(C)C)cc1

名称与同义词

  • CHEMBL5558727
  • AT45531
  • A947
  • A947?
  • EN300-44825961
  • 2378056-80-3
  • (2S,4R)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2R)-3-methyl-2-{3-[4-({4-[(1r,3r)-3-({4-[(1R,5S)-3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl}oxy)cyclobutoxy]piperidin-1-yl}methyl)piperidin-1-yl]-1,2-oxazol-5-yl}butanoyl]pyrrolidine-2-carboxamide