2-amino-5-[[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![2-amino-5-[[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/05841b80f1ad4ec5a0fefc282a91a021.png "2-amino-5-[[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
2-amino-5-[[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
33812-54-3
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Formula:
C18H22BrN3O7S
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Chemical Name:
2-amino-5-[[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
33812-54-3;NSC131123;CHEMBL1824987;DTXSID40299512;NSC-131123;gamma-Glutamyl-S-[2-(4-bromophenyl)-2-oxoethyl]cysteinylglycine
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CAS No:
2-amino-5-[[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
504.4 g/mol
503.03618 g/mol
131123
DTXSID40299512
Computed Properties
Molecular Weight:504.4
XLogP3:-2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:503.03618
Monoisotopic Mass:503.03618
Topological Polar Surface Area:201
Heavy Atom Count:30
Complexity:641
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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