Chemical Compound

methyl (2S)-2-{[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-3a-yl]formamido}-4-methylpentanoate

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methyl (2S)-2-{[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-3a-yl]formamido}-4-methylpentanoate 结构式
Primary record

methyl (2S)-2-{[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-3a-yl]formamido}-4-methylpentanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
44272880
SMILES
CC(C)C[C@@H](C(=O)OC)NC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=C)C
Canonical SMILES
C=C(C)[C@@H]1CC[C@]2(C(=O)N[C@@H](CC(C)C)C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

名称与同义词

  • CHEMBL19779
  • J1.096.650G
  • N-[3beta-Hydroxy-28-oxolup-20(29)-en-28-yl]-L-leucine methyl ester
  • methyl (2S)-2-{[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-3a-yl]formamido}-4-methylpentanoate