2-amino-5-[[1-(carboxymethylamino)-3-[(3-methylphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![2-amino-5-[[1-(carboxymethylamino)-3-[(3-methylphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/14399318864e44628c206cc536f48894.png "2-amino-5-[[1-(carboxymethylamino)-3-[(3-methylphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
2-amino-5-[[1-(carboxymethylamino)-3-[(3-methylphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
33812-41-8
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Formula:
C18H25N3O6S
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Chemical Name:
2-amino-5-[[1-(carboxymethylamino)-3-[(3-methylphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
33812-41-8;NSC131130;DTXSID90955398;NSC-131130;5-[(1-[(Carboxymethyl)imino]-1-hydroxy-3-{[(3-methylphenyl)methyl]sulfanyl}propan-2-yl)imino]-5-hydroxynorvaline
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CAS No:
2-amino-5-[[1-(carboxymethylamino)-3-[(3-methylphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
411.5 g/mol
411.14640670 g/mol
131130
Computed Properties
Molecular Weight:411.5
XLogP3:-2.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:12
Exact Mass:411.14640670
Monoisotopic Mass:411.14640670
Topological Polar Surface Area:184
Heavy Atom Count:28
Complexity:559
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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