Products 116840-27-8

CAS 116840-27-8 is the registry number for 4-Hydroxyestrone-2-glutathione. Offered by: TRC. Available pack sizes: 2,5mg.

4-Hydroxyestrone-2-glutathione
TRC
  • size: 2,5mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[(8R,9S,13S,14S)-3,4-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-2-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (CAS 116840-27-8) is a chemical compound with the molecular formula C28H37N3O9S and a molecular weight of 591.7 g/mol. IUPAC name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[(8R,9S,13S,14S)-3,4-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-2-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid. InChIKey: UKCFCQKNUGHMIT-ZSNSHDFUSA-N.

Identity
Molecular formulaC28H37N3O9S
Molecular weight591.7 g/mol
IUPAC name(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[(8R,9S,13S,14S)-3,4-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-2-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
InChIKeyUKCFCQKNUGHMIT-ZSNSHDFUSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C(C(=C(C=C34)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)O

Computed by PubChem (NCBI)

Synonyms: 4-Hydroxyestrone-2-glutathione