2-amino-5-[[3-(4-bromophenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![2-amino-5-[[3-(4-bromophenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/436dfd17b86d496fa15386c107bdf889.png "2-amino-5-[[3-(4-bromophenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
2-amino-5-[[3-(4-bromophenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
6803-20-9
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Formula:
C16H20BrN3O6S
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Chemical Name:
2-amino-5-[[3-(4-bromophenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
6803-20-9;NSC131113;DTXSID90299507;NSC-131113;2-amino-5-[[3-(4-bromophenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
2-amino-5-[[3-(4-bromophenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
462.3 g/mol
461.02562 g/mol
131113
DTXSID90299507
Computed Properties
Molecular Weight:462.3
XLogP3:-1.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:461.02562
Monoisotopic Mass:461.02562
Topological Polar Surface Area:184
Heavy Atom Count:27
Complexity:542
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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