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Home > Encyclopedia > (2S)-2-amino-5-[[(2S,4S)-4-[[(4S)-4-amino-4-carboxybutanoyl]amino]-1,5-bis(carboxymethylamino)-1,3,5-trioxo-2,4-bis(sulfanylmethyl)pentan-2-yl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(2S,4S)-4-[[(4S)-4-amino-4-carboxybutanoyl]amino]-1,5-bis(carboxymethylamino)-1,3,5-trioxo-2,4-bis(sulfanylmethyl)pentan-2-yl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(2S,4S)-4-[[(4S)-4-amino-4-carboxybutanoyl]amino]-1,5-bis(carboxymethylamino)-1,3,5-trioxo-2,4-bis(sulfanylmethyl)pentan-2-yl]amino]-5-oxopentanoic acid structure

(2S)-2-amino-5-[[(2S,4S)-4-[[(4S)-4-amino-4-carboxybutanoyl]amino]-1,5-bis(carboxymethylamino)-1,3,5-trioxo-2,4-bis(sulfanylmethyl)pentan-2-yl]amino]-5-oxopentanoic acid 

structure
  • CAS No:

    78971-64-9

  • Formula:

    C21H32N6O13S2

  • Chemical Name:

    (2S)-2-amino-5-[[(2S,4S)-4-[[(4S)-4-amino-4-carboxybutanoyl]amino]-1,5-bis(carboxymethylamino)-1,3,5-trioxo-2,4-bis(sulfanylmethyl)pentan-2-yl]amino]-5-oxopentanoic acid

  • Synonyms:

    diglutathionyl dithiocarbonate;GSCOSG;Gscosg;Glycine, N-(N-L-gamma-glutamyl-L-cysteinyl)-, carbonate (2:1) (ester);78971-64-9

(2S)-2-amino-5-[[(2S,4S)-4-[[(4S)-4-amino-4-carboxybutanoyl]amino]-1,5-bis(carboxymethylamino)-1,3,5-trioxo-2,4-bis(sulfanylmethyl)pentan-2-yl]amino]-5-oxopentanoic acid Basic Attributes

640.6 g/mol

640.14687744 g/mol

Characteristics

337 Ų

Drug Information

diglutathionyl dithiocarbonate

Computed Properties

Molecular Weight:640.6
XLogP3:-9.5
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:20
Exact Mass:640.14687744
Monoisotopic Mass:640.14687744
Topological Polar Surface Area:337
Heavy Atom Count:42
Complexity:1020
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (2S)-2-amino-5-[[(2S,4S)-4-[[(4S)-4-amino-4-carboxybutanoyl]amino]-1,5-bis(carboxymethylamino)-1,3,5-trioxo-2,4-bis(sulfanylmethyl)pentan-2-yl]amino]-5-oxopentanoic acid

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