Quinonyl-N-acetylmuramyl-L-valyl-D-isoglutamine methyl ester
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Quinonyl-N-acetylmuramyl-L-valyl-D-isoglutamine methyl ester
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CAS No:
72921-52-9
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Formula:
C41H64N4O16
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Chemical Name:
Quinonyl-N-acetylmuramyl-L-valyl-D-isoglutamine methyl ester
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Synonyms:
QMDP 66;quinonyl-MDP-66;quinonyl-N-acetylmuramyl-L-valyl-D-isoglutamine methyl ester;quinonyl-N-AcMu-Val-iso-Gln-methyl ester;[(2R,3S,4R,5R,6S)-5-acetamido-4-[1-[[(2S)-1-[[(2R)-5-amino-1-methoxy-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl 10-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanoate;72921-52-9;Qmdp 66;Quinonyl-mdp-66;Quinonyl-N-acetylmuramyldipeptide;DTXSID60993702;Quinonyl-N-acmu-val-iso-gln-methyl ester;Quinonyl-N-acetylmuramyl-L-valyl-D-isoglutamine methyl ester;2-Deoxy-6-O-[10-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanoyl]-2-[(1-hydroxyethylidene)amino]-3-O-[1-hydroxy-1-({1-hydroxy-1-[(5-hydroxy-5-imino-1-methoxy-1-oxopentan-2-yl)imino]-3;D-alpha-Glutamine, N2-(N-(N-acetyl-6-O-(10-(4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-1-oxodecyl)muramoyl)-L-valyl)-, methyl ester
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CAS No:
Quinonyl-N-acetylmuramyl-L-valyl-D-isoglutamine methyl ester Basic Attributes
869.0 g/mol
868.43173197 g/mol
Computed Properties
Molecular Weight:869.0
XLogP3:1.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:28
Exact Mass:868.43173197
Monoisotopic Mass:868.43173197
Topological Polar Surface Area:295
Heavy Atom Count:61
Complexity:1640
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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