(2S)-2-amino-5-[[(2R)-2-amino-3-(2-bromoethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
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![(2S)-2-amino-5-[[(2R)-2-amino-3-(2-bromoethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3f1493c422c3436f81d3d25e78d4010d.png "(2S)-2-amino-5-[[(2R)-2-amino-3-(2-bromoethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-2-amino-3-(2-bromoethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
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CAS No:
81907-45-1
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Formula:
C12H20BrN3O6S
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Chemical Name:
(2S)-2-amino-5-[[(2R)-2-amino-3-(2-bromoethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
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Synonyms:
81907-45-1;DTXSID201002297;S-(2-Bromoethyl)cysteinyl-N-gamma-glutamylglycine;Glycine, L-gamma-glutamyl-S-(2-bromoethyl)-L-cysteinyl-
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CAS No:
(2S)-2-amino-5-[[(2R)-2-amino-3-(2-bromoethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid Basic Attributes
414.28 g/mol
413.02562 g/mol
Computed Properties
Molecular Weight:414.28
XLogP3:-5.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:413.02562
Monoisotopic Mass:413.02562
Topological Polar Surface Area:189
Heavy Atom Count:23
Complexity:451
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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