2-[[9-amino-12-(carboxymethylcarbamoyl)-6,10-dioxo-1,2-dithia-5,11-diazacyclotridecane-4-carbonyl]amino]acetic acid
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![2-[[9-amino-12-(carboxymethylcarbamoyl)-6,10-dioxo-1,2-dithia-5,11-diazacyclotridecane-4-carbonyl]amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f18d63d2e9c64f9ba3506b4c5fbdd5c3.png "2-[[9-amino-12-(carboxymethylcarbamoyl)-6,10-dioxo-1,2-dithia-5,11-diazacyclotridecane-4-carbonyl]amino]acetic acid")
2-[[9-amino-12-(carboxymethylcarbamoyl)-6,10-dioxo-1,2-dithia-5,11-diazacyclotridecane-4-carbonyl]amino]acetic acid
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CAS No:
69306-79-2
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Formula:
C15H23N5O8S2
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Chemical Name:
2-[[9-amino-12-(carboxymethylcarbamoyl)-6,10-dioxo-1,2-dithia-5,11-diazacyclotridecane-4-carbonyl]amino]acetic acid
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Synonyms:
alpha,gamma-Glu-cystinyl-bis(Gly);alpha,gamma-glutamyl-cystinyl-bis(glycine);alpha,gamma-glutamylcystinylbis(glycine);alpha,gamma-Glu-cystinyl-bis(gly);alpha,gamma-Glutamylcystinylbis(glycine);alpha,gamma-Glutamyl-cystinyl-bis(glycine);69306-79-2;Glycine, N,N'-((7-amino-6,10-dioxo-1,2-dithia-5,11-diazacyclotridecane-4,12-diyl)dicarbonyl)bis-, (4R-(4R*,7S*,12R*))-
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CAS No:
2-[[9-amino-12-(carboxymethylcarbamoyl)-6,10-dioxo-1,2-dithia-5,11-diazacyclotridecane-4-carbonyl]amino]acetic acid Basic Attributes
465.5 g/mol
465.09880506 g/mol
Computed Properties
Molecular Weight:465.5
XLogP3:-5.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:465.09880506
Monoisotopic Mass:465.09880506
Topological Polar Surface Area:268
Heavy Atom Count:30
Complexity:692
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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