1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[[3-acetylsulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid

2.1.2 InChI

InChI=1S/C12H19N3O7S/c1-6(16)23-5-8(11(20)14-4-10(18)19)15-9(17)3-2-7(13)12(21)22/h7-8H,2-5,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)(H,21,22)

2.1.3 InChI Key

FVRWSIPJNWXCEO-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Dtxsid60952839

2. 5-({3-(acetylsulfanyl)-1-[(carboxymethyl)imino]-1-hydroxypropan-2-yl}imino)-5-hydroxynorvaline

3. Refchem:1072301

4. Dtxcid601380912

5. S-acetyl-l-glutathione

6. 5-[[3-acetylsulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic Acid

7. C12h19n3o7s

8. 5-[[1-(acetylsulfanylmethyl)-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic Acid

9. Glutathione-s-acetate

10. Schembl420277

11. Orb2279192

12. Fvrwsipjnwxceo-uhfffaoysa-n

13. (2s)-4-{[(1r)-2-(acetylsulfanyl)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}-2-aminobutanoic Acid

14. Bcp09327

15. Akos025404546

16. Ds-9100

17. Fs165201

18. Ns00047864

19. S-acetyl-?-l-glutamyl-l-cysteinyl-glycine;sag

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₉N₃O₇S
Molecular Weight	349.36 g/mol
XLogP3	-4.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	11
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	201
Heavy Atom Count	23
Formal Charge	0
Complexity	483
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

S-acetyl-L-glutathione