Chemical Compound

(2R)-2-amino-5-[[(2S)-1-(carboxymethylamino)-3-[[(13S)-2,3-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-4-yl]sulanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

(2R)-2-amino-5-[[(2S)-1-(carboxymethylamino)-3-[[(13S)-2,3-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-4-yl]sulanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid 结构式
Primary record

(2R)-2-amino-5-[[(2S)-1-(carboxymethylamino)-3-[[(13S)-2,3-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-4-yl]sulanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
53481502
SMILES
C[C@]12CCC3C(C1CCC2=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@]12CCC3c4cc(O)c(O)c(SC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)c4CCC3C1CCC2=O

名称与同义词

  • 2-Hydroxyestrone-4-S-glutathione
  • SCHEMBL29934298
  • CHEBI:185105
  • 2,3-dihydroxy-1,3,5[10]-estratriene-17-one-4-S-glutathione
  • (2R)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-{[(15S)-4,5-dihydroxy-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-6-yl]sulfanyl}ethyl]carbamoyl}butanoic acid
  • (2R)-2-amino-5-[[(2S)-1-(carboxymethylamino)-3-[[(13S)-2,3-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-4-yl]sulanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid