(2S)-2-amino-5-[[(2R)-2-amino-3-[(4-methylphenyl)methylsulfanyl]propanoyl]-(2-carboxyethyl)amino]-5-oxopentanoic acid
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![(2S)-2-amino-5-[[(2R)-2-amino-3-[(4-methylphenyl)methylsulfanyl]propanoyl]-(2-carboxyethyl)amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d5d50ea06ed641fead4b5824611c4211.png "(2S)-2-amino-5-[[(2R)-2-amino-3-[(4-methylphenyl)methylsulfanyl]propanoyl]-(2-carboxyethyl)amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-2-amino-3-[(4-methylphenyl)methylsulfanyl]propanoyl]-(2-carboxyethyl)amino]-5-oxopentanoic acid
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CAS No:
152684-54-3
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Formula:
C19H27N3O6S
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Chemical Name:
(2S)-2-amino-5-[[(2R)-2-amino-3-[(4-methylphenyl)methylsulfanyl]propanoyl]-(2-carboxyethyl)amino]-5-oxopentanoic acid
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Synonyms:
gamma-glutaminyl-S-(4-methylbenzyl)cysteinyl-beta-alanine;GGBCA;152684-54-3;GGBCA;DTXSID10934569;gamma-Glutaminyl-S-(4-methylbenzyl)cysteinyl-beta-alanine;gamma-Glutamyl-N-{S-[(4-methylphenyl)methyl]cysteinyl}-beta-alanine
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CAS No:
(2S)-2-amino-5-[[(2R)-2-amino-3-[(4-methylphenyl)methylsulfanyl]propanoyl]-(2-carboxyethyl)amino]-5-oxopentanoic acid Basic Attributes
425.5 g/mol
425.16205676 g/mol
Computed Properties
Molecular Weight:425.5
XLogP3:-4.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:425.16205676
Monoisotopic Mass:425.16205676
Topological Polar Surface Area:189
Heavy Atom Count:29
Complexity:580
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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