(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoic acid
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![(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fb2480aeca4740549fe85b1aaa24b39e.png "(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoic acid")
(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoic acid
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CAS No:
66112-56-9
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Formula:
C21H36N4O11
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Chemical Name:
(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoic acid
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Synonyms:
acetylmuramyl-valylisoglutamine;AcMu-Val-iso-Gln;MDP(Val);MurNAc-L-Val-D-isoGln;N-acetylmuramyl-L-valyl-D-isoglutamine;Acetylmuramyl-valylisoglutamine;Acmu-val-iso-gln;Mdp(val);Murnac-L-val-D-isogln;(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoic acid;66112-56-9;A835983;D-alpha-Glutamine, N2-(N-(N-acetylmuramoyl)-L-valyl)-;(2R)-2-[[(2S)-2-[[2-[[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-5-amino-5-oxopentanoic acid;(2R)-2-[[(2S)-2-[2-[(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoylamino]-3-methyl-butanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid
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CAS No:
(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoic acid Basic Attributes
520.5 g/mol
520.23805798 g/mol
Computed Properties
Molecular Weight:520.5
XLogP3:-2.8
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:13
Exact Mass:520.23805798
Monoisotopic Mass:520.23805798
Topological Polar Surface Area:247
Heavy Atom Count:36
Complexity:809
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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