(2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(2-tetradecylhexadecanoyloxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid
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![(2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(2-tetradecylhexadecanoyloxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3f8cb224ebba42d4ab0a3e4e6df35100.png "(2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(2-tetradecylhexadecanoyloxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid")
(2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(2-tetradecylhexadecanoyloxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid
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CAS No:
112008-40-9
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Formula:
C47H88N4O11
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Chemical Name:
(2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(2-tetradecylhexadecanoyloxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid
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Synonyms:
MDP-B 30;6-O-(2-Tetradecyl-hexadecanoyl)-MDP;(2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(2-tetradecylhexadecanoyloxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid;112008-40-9;D-alpha-Glutamine, N2-(N-(6-O-(1-oxo-2-tetradecylhexadecyl)muramoyl)-L-alanyl)-
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CAS No:
(2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(2-tetradecylhexadecanoyloxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid Basic Attributes
885.2 g/mol
884.64495964 g/mol
Computed Properties
Molecular Weight:885.2
XLogP3:8.5
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:40
Exact Mass:884.64495964
Monoisotopic Mass:884.64495964
Topological Polar Surface Area:250
Heavy Atom Count:62
Complexity:1200
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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