(2S)-2-[[(2S)-4-carboxy-2-[[3-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]butanoyl]amino]-4-methylpentanoic acid
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![(2S)-2-[[(2S)-4-carboxy-2-[[3-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]butanoyl]amino]-4-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/84e4f445a72e458aa9c58bba4b059c37.png "(2S)-2-[[(2S)-4-carboxy-2-[[3-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]butanoyl]amino]-4-methylpentanoic acid")
(2S)-2-[[(2S)-4-carboxy-2-[[3-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]butanoyl]amino]-4-methylpentanoic acid
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CAS No:
113516-56-6
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Formula:
C21H37N5O9
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Chemical Name:
(2S)-2-[[(2S)-4-carboxy-2-[[3-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]butanoyl]amino]-4-methylpentanoic acid
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Synonyms:
KDEL sequence;Lys-Asp-Glu-Leu;lysyl-aspartyl-glutamyl-leucine;lysyl-aspartyl-glutamyl-leucine;113516-56-6;Kdel sequence;Lys-asp-glu-leu;DTXSID80921087;L-Leucine, N-(N-(N-L-lysyl-L-alpha-aspartyl)-L-alpha-glutamyl)-;N-[4-Carboxy-2-({3-carboxy-2-[(2,6-diamino-1-hydroxyhexylidene)amino]-1-hydroxypropylidene}amino)-1-hydroxybutylidene]leucine
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CAS No:
(2S)-2-[[(2S)-4-carboxy-2-[[3-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]butanoyl]amino]-4-methylpentanoic acid Basic Attributes
503.5 g/mol
503.25912777 g/mol
Computed Properties
Molecular Weight:503.5
XLogP3:-6.3
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:18
Exact Mass:503.25912777
Monoisotopic Mass:503.25912777
Topological Polar Surface Area:251
Heavy Atom Count:35
Complexity:760
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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