2-amino-5-[[1-(carboxymethylamino)-3-[(2-nitrophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![2-amino-5-[[1-(carboxymethylamino)-3-[(2-nitrophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7a0d94fcafcd4df78413586029ccc931.png "2-amino-5-[[1-(carboxymethylamino)-3-[(2-nitrophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
2-amino-5-[[1-(carboxymethylamino)-3-[(2-nitrophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
33812-45-2
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Formula:
C17H22N4O8S
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Chemical Name:
2-amino-5-[[1-(carboxymethylamino)-3-[(2-nitrophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
33812-45-2;NSC131120;DTXSID00955400;NSC-131120;5-[(1-[(Carboxymethyl)imino]-1-hydroxy-3-{[(2-nitrophenyl)methyl]sulfanyl}propan-2-yl)imino]-5-hydroxynorvaline
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CAS No:
2-amino-5-[[1-(carboxymethylamino)-3-[(2-nitrophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
442.4 g/mol
442.11583485 g/mol
131120
Computed Properties
Molecular Weight:442.4
XLogP3:-2.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:12
Exact Mass:442.11583485
Monoisotopic Mass:442.11583485
Topological Polar Surface Area:230
Heavy Atom Count:30
Complexity:642
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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