2-amino-5-[[3-[2-(4-aminophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![2-amino-5-[[3-[2-(4-aminophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b93e2451a1344f95abdffeab1bee0aa4.png "2-amino-5-[[3-[2-(4-aminophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
2-amino-5-[[3-[2-(4-aminophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
33812-51-0
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Formula:
C18H24N4O7S
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Chemical Name:
2-amino-5-[[3-[2-(4-aminophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
33812-51-0;NSC131128;DTXSID20955402;NSC-131128;5-[(3-{[2-(4-Aminophenyl)-2-oxoethyl]sulfanyl}-1-[(carboxymethyl)imino]-1-hydroxypropan-2-yl)imino]-5-hydroxynorvaline
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CAS No:
2-amino-5-[[3-[2-(4-aminophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
440.5 g/mol
440.13657029 g/mol
131128
Computed Properties
Molecular Weight:440.5
XLogP3:-3.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:13
Exact Mass:440.13657029
Monoisotopic Mass:440.13657029
Topological Polar Surface Area:227
Heavy Atom Count:30
Complexity:638
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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