Chemical Compound

J995.004D

J995.004D chemical structure
Primary Record

J995.004D

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
102586431
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C(C(=C(C=C34)O)O)SC[C@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Canonical SMILES
C[C@]12CC[C@@H]3c4cc(O)c(O)c(SC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c4CC[C@H]3[C@@H]1CCC2=O

Names & Synonyms

  • J995.004D
  • (2S)-4-{[(1S)-2-{[(3aS,3bR,9bS,11aS)-7,8-dihydroxy-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-6-yl]sulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}-2-aminobutanoic acid
  • 4-[[(2S)-2-[[(4S)-4-Amino-1,5-dioxo-5-hydroxypentyl]amino]-3-[(2-hydroxy-2-oxoethyl)amino]-3-oxopropyl]thio]-2-hydroxyestrone