1-[(2R)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanylpropane-1,2,3-tricarboxylic acid
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![1-[(2R)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanylpropane-1,2,3-tricarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3f1c1585d38547669bcba34241dec23f.png "1-[(2R)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanylpropane-1,2,3-tricarboxylic acid")
1-[(2R)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanylpropane-1,2,3-tricarboxylic acid
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CAS No:
65416-39-9
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Formula:
C16H23N3O12S
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Chemical Name:
1-[(2R)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanylpropane-1,2,3-tricarboxylic acid
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Synonyms:
citryl-glutathione;glutathione-citryl thioester;Glutathione-citryl thioester;Citryl-glutathione;65416-39-9;Glycine, N-(N-L-gamma-glutamyl-L-cysteinyl)-, S-(dihydrogen 2-hydroxy-1,2,3-propanetricarboxylate)
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CAS No:
1-[(2R)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanylpropane-1,2,3-tricarboxylic acid Basic Attributes
481.4 g/mol
481.10024435 g/mol
Computed Properties
Molecular Weight:481.4
XLogP3:-5.5
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:16
Exact Mass:481.10024435
Monoisotopic Mass:481.10024435
Topological Polar Surface Area:296
Heavy Atom Count:32
Complexity:759
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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