(9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular Identity
(9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
PubChem CID: 449366
2D Structure
Properties
C24H27N3O7S
Molecular Formula
501.60
Molecular Weight
g/mol
501.1570
Exact Mass
Da
-2.1
XLogP
Drug-like (Lipinski: < 5)
204
TPSA
May have limited oral absorption
6
H-Bond Donors
9
H-Bond Acceptors
782
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(12)
(9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-{[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl]sulfanyl}ethyl]carbamoyl}butanoic acid(2S)-2-amino-4-(((1R)-1-((carboxymethyl)carbamoyl)-2-(((9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl)sulfanyl)ethyl)carbamoyl)butanoic acidRefChem:405589GPS3gst5fwgSCHEMBL23752193DB01834PD060309(9r,10r)-9-(S-glutathionyl)-10-hydroxy-9,10dihydrophenanthreneL-gamma-glutamyl-S-[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine
Data from PubChem (NCBI)
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Molecular Structure
(9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE
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Drug Network
Trials and conditions connected to (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE
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