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Structure

s-(Acetonyl)glutathione

CAS
94120-01-1
Catalog Number
ACM94120011
Category
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What is the molecular formula of S-(Acetonyl)glutathione?

The molecular formula of S-(Acetonyl)glutathione is C13H21N3O7S.

When was S-(Acetonyl)glutathione first created and modified in PubChem?

S-(Acetonyl)glutathione was first created on August 8, 2005, and last modified on December 30, 2023.

What is the IUPAC name of S-(Acetonyl)glutathione?

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.

What is the canonical SMILES representation of S-(Acetonyl)glutathione?

The canonical SMILES representation of S-(Acetonyl)glutathione is CC(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N.

What is the InChIKey of S-(Acetonyl)glutathione?

The InChIKey of S-(Acetonyl)glutathione is PZMYLNAHJKAZLX-IUCAKERBSA-N.

What is the XLogP3-AA value of S-(Acetonyl)glutathione?

The XLogP3-AA value of S-(Acetonyl)glutathione is -4.4.

How many hydrogen bond donor counts does S-(Acetonyl)glutathione have?

S-(Acetonyl)glutathione has 5 hydrogen bond donor counts.

What is the topological polar surface area of S-(Acetonyl)glutathione?

The topological polar surface area of S-(Acetonyl)glutathione is 201.

How many rotatable bond counts does S-(Acetonyl)glutathione have?

S-(Acetonyl)glutathione has 12 rotatable bond counts.

Is S-(Acetonyl)glutathione a canonicalized compound?

Yes, S-(Acetonyl)glutathione is a canonicalized compound.

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