Chemical Compound

(4S)-4-{[(1S)-1-{[(1S)-1-({3-[(1S,2S,3aS,3bR,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]propyl}carbamoyl)ethyl]carbamoyl}ethyl]carbamoyl}-4-aminobutanoic acid

(4S)-4-{[(1S)-1-{[(1S)-1-({3-[(1S,2S,3aS,3bR,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]propyl}carbamoyl)ethyl]carbamoyl}ethyl]carbamoyl}-4-aminobutanoic acid 结构式
Primary record

(4S)-4-{[(1S)-1-{[(1S)-1-({3-[(1S,2S,3aS,3bR,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]propyl}carbamoyl)ethyl]carbamoyl}ethyl]carbamoyl}-4-aminobutanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101123856
SMILES
C[C@@H](C(=O)NCCC[C@H]1C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2([C@H]1O)C)C=CC(=C4)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N
Canonical SMILES
C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCCC[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O

名称与同义词

  • J1.586.416H
  • (17beta)-16beta-[3-(L-Glu-L-Ala-L-Ala-Amino)propyl]estradiol
  • (4S)-4-{[(1S)-1-{[(1S)-1-({3-[(1S,2S,3aS,3bR,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]propyl}carbamoyl)ethyl]carbamoyl}ethyl]carbamoyl}-4-aminobutanoic acid