94113-78-7 Purity
96%
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The molecular formula of S-(Acetonyl)glutathione is C13H21N3O7S.
S-(Acetonyl)glutathione was first created on August 8, 2005, and last modified on December 30, 2023.
The IUPAC name of S-(Acetonyl)glutathione is (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(2-oxopropylsulfanyl)propan-2-yl]amino]-5-oxopentanoic acid.
The canonical SMILES representation of S-(Acetonyl)glutathione is CC(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N.
The InChIKey of S-(Acetonyl)glutathione is PZMYLNAHJKAZLX-IUCAKERBSA-N.
The XLogP3-AA value of S-(Acetonyl)glutathione is -4.4.
S-(Acetonyl)glutathione has 5 hydrogen bond donor counts.
The topological polar surface area of S-(Acetonyl)glutathione is 201.
S-(Acetonyl)glutathione has 12 rotatable bond counts.
Yes, S-(Acetonyl)glutathione is a canonicalized compound.