CAS
31643-49-9 Purity
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31643-49-9 Purity
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s-(4-Bromobenzyl)glutathione
CAS
31702-37-1
Catalog Number
ACM31702371
Category
Other Products
Molecular Weight
0
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Specification
Synonyms
S-(4-bromobenzyl)glutathione
What is the molecular formula of S-(4-Bromobenzyl)glutathione?
The molecular formula is C17H22BrN3O6S.
What is the molecular weight of S-(4-Bromobenzyl)glutathione?
The molecular weight is 476.3 g/mol.
What is the IUPAC name of S-(4-Bromobenzyl)glutathione?
The IUPAC name is (2S)-2-amino-5-[[(2R)-3-[(4-bromophenyl)methylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
What is the InChI of S-(4-Bromobenzyl)glutathione?
The InChI is InChI=1S/C17H22BrN3O6S/c18-11-3-1-10(2-4-11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1.
What is the InChIKey of S-(4-Bromobenzyl)glutathione?
The InChIKey is HMNYAPVDRLKBJH-STQMWFEESA-N.
What is the canonical SMILES of S-(4-Bromobenzyl)glutathione?
The canonical SMILES is C1=CC(=CC=C1CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)Br.
How many hydrogen bond donor count does S-(4-Bromobenzyl)glutathione have?
It has 5 hydrogen bond donor count.
How many hydrogen bond acceptor count does S-(4-Bromobenzyl)glutathione have?
It has 8 hydrogen bond acceptor count.
How many rotatable bond count does S-(4-Bromobenzyl)glutathione have?
It has 12 rotatable bond count.
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