Chemical Compound

methyl (E)-3-[4-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-[[4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl]methoxy]-5-[[(1S)-2-methyl-1-(methylcarbamoyl)propyl]amino]-1-[[(1S)-2-methyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-oxo-pentoxy]methyl]phenyl]prop-2-enoate

methyl (E)-3-[4-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-[[4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl]methoxy]-5-[[(1S)-2-methyl-1-(methylcarbamoyl)propyl]amino]-1-[[(1S)-2-methyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-oxo-pentoxy]methyl]phenyl]prop-2-enoate 结构式
Primary record

methyl (E)-3-[4-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-[[4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl]methoxy]-5-[[(1S)-2-methyl-1-(methylcarbamoyl)propyl]amino]-1-[[(1S)-2-methyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-oxo-pentoxy]methyl]phenyl]prop-2-enoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
5327475
SMILES
CC([C@H](NC(=O)[C@H](OCC1=CC=C(C=C1)/C=C/C(=O)OC)[C@H](O)[C@@H](O)[C@@H](OCC2=CC=C(C=C2)/C=C/C(=O)OC)C(=O)N[C@H](C(=O)NC)C(C)C)C(=O)NC)C
Canonical SMILES
CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(/C=C/C(=O)OC)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(/C=C/C(=O)OC)cc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C

名称与同义词

  • AC1NS2FI
  • C2-Symmetric inhibitor 12
  • CHEMBL127045
  • BDBM854
  • AIDS086467
  • CID5327475
  • J1.186.359K
  • N1,N6-bis[(1S)-2-Methyl-1-(methylcarbamoyl)propyl]-(2R,3R,4R,5R)-2,5-bis{4-[(E)-2-methoxycarbonylethenyl]-benzyloxy}-3,4-dihydroxyhexanediamide
  • (2R,3R,4R,5R)-2,5-Bis[4-[2-(methoxycarbonyl)vinyl]benzyloxy]-3,4-dihydroxy-N,N -bis[(S)-1-(methylcarbamoyl)-2-methylpropyl]adipamide
  • methyl (E)-3-[4-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-[[4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl]methoxy]-5-[[(1S)-2-methyl-1-(methylcarbamoyl)propyl]amino]-1-[[(1S)-2-methyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-oxo-pentoxy]methyl]phenyl]prop-2-enoate
  • methyl (E)-3-[4-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-[[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]methoxy]-1,6-bis[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1,6-dioxohexan-2-yl]oxymethyl]phenyl]prop-2-enoate
  • methyl 3-(4-{[(1R,2R,3R,4R)-2,3-dihydroxy-4-{[4-(3-methoxy-3-oxoprop-1-en-1-yl)phenyl]methoxy}-1,4-bis({[(1S)-2-methyl-1-(methylcarbamoyl)propyl]carbamoyl})butoxy]methyl}phenyl)prop-2-enoate