Chemical Compound

J994.993C

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J994.993C chemical structure
Primary Record

J994.993C

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
102586420
SMILES
CC(=O)N[C@H](CSC1=C(C(=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CCC4=O)C)O)O)C(=O)O
Canonical SMILES
CC(=O)N[C@H](CSc1cc2c(c(O)c1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12)C(=O)O

Names & Synonyms

  • J994.993C
  • 2-[[(2S)-2-(Acetylamino)-3-hydroxy-3-oxopropyl]thio]-4-hydroxyestrone
  • (2S)-2-(Acetylamino)-3-[[3,4-dihydroxy-17-oxoestra-1,3,5(10)-triene-2-yl]thio]propanoic acid
  • (2S)-3-{[(3aS,3bR,9bS,11aS)-6,7-dihydroxy-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-8-yl]sulfanyl}-2-acetamidopropanoic acid