(2S)-2-amino-3-[5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methylimidazol-4-yl]disulfanyl]-3-methylimidazol-4-yl]propanoic acid
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![(2S)-2-amino-3-[5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methylimidazol-4-yl]disulfanyl]-3-methylimidazol-4-yl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/829f7ca8adb84b66a20cdcfc21fb749c.png "(2S)-2-amino-3-[5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methylimidazol-4-yl]disulfanyl]-3-methylimidazol-4-yl]propanoic acid")
(2S)-2-amino-3-[5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methylimidazol-4-yl]disulfanyl]-3-methylimidazol-4-yl]propanoic acid
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CAS No:
73491-33-5
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Formula:
C14H20N6O4S2
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Chemical Name:
(2S)-2-amino-3-[5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methylimidazol-4-yl]disulfanyl]-3-methylimidazol-4-yl]propanoic acid
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Synonyms:
1-N-methyl-4-mercaptohistidine disulfide;MMHDS;MMHDS;SCHEMBL10425545;CHEBI:138530;1-N-Methyl-4-mercaptohistidine disulfide;73491-33-5;(2S)-2-amino-3-[5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methylimidazol-4-yl]disulfanyl]-3-methylimidazol-4-yl]propanoic acid;122174-39-4
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CAS No:
Description
Ovothiol A disulfide is an organic disulfide and a non-proteinogenic L-alpha-amino acid.
(2S)-2-amino-3-[5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methylimidazol-4-yl]disulfanyl]-3-methylimidazol-4-yl]propanoic acid Basic Attributes
400.5 g/mol
400.09874549 g/mol
Computed Properties
Molecular Weight:400.5
XLogP3:-5.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:400.09874549
Monoisotopic Mass:400.09874549
Topological Polar Surface Area:213
Heavy Atom Count:26
Complexity:472
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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