2-[[4-[2-[2-(2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl)oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-6-aminoheptanedioic acid
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![2-[[4-[2-[2-(2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl)oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-6-aminoheptanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/543352ef9f4f41ba8c640bc64e184c29.png "2-[[4-[2-[2-(2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl)oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-6-aminoheptanedioic acid")
2-[[4-[2-[2-(2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl)oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-6-aminoheptanedioic acid
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CAS No:
64374-58-9
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Formula:
C26H44N6O14
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Chemical Name:
2-[[4-[2-[2-(2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl)oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-6-aminoheptanedioic acid
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Synonyms:
Ac-Mur-L-Ala-gamma-D-Gln-meso-A(2)pm;AcMu-Ala-iso-Gln-2,2'-diaminopimelic acid;muramylNAc-Ala-isoGln-Lys-tripeptide;N-acetylmuramyl-alanyl-isoglutaminyl-meso-2,2'-diaminopimelic acid;N-acetylmuramyl-L-alanyl-D-isoglutaminyl-L-lysine;Murnac-tripeptide;64374-58-9;2-[[4-[2-[2-(2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl)oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-6-aminoheptanedioic acid;MuramylNAc-Ala-isoGln-Lys-tripeptide;Ac-Mur-L-ala-gamma-D-gln-meso-A(2)pm;Acmu-ala-iso-gln-2,2'-diaminopimelic acid;DTXSID50982928;N-(N-Acetylmuramoyl)-L-alanyl-D-alpha-glutaminyl-6-carboxylysine,;N-Acetylmuramyl-alanyl-isoglutaminyl-meso-2,2'-diaminopimelic acid;N-acetylmuramyl-L-alanyl-D-isoglutaminyl-L-lysine;Lysine, N-(N-acetylmuramoyl)-L-alanyl-D-alpha-glutaminyl-6-carboxy-, erythro-;3-O-(1-{[1-({5-[(5-Amino-1,5-dicarboxypentyl)imino]-1,5-dihydroxy-1-iminopentan-2-yl}imino)-1-hydroxypropan-2-yl]imino}-1-hydroxypropan-2-yl)-2-deoxy-2-[(1-hydroxyethylidene)amino]hexose;D-Glutamine, N2-(N-(N-acetylmuramoyl)-L-alanyl)-N-(5-amino-1,5-dicarboxypentyl)-, (R*,S*)-;DL-Lysine, N2-(N2-(N-(N-acetylmuramoyl)-L-alanyl)-D-alpha-glutaminyl)-6-carboxy-, erythro-
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CAS No:
2-[[4-[2-[2-(2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl)oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-6-aminoheptanedioic acid Basic Attributes
664.7 g/mol
664.29155010 g/mol
Computed Properties
Molecular Weight:664.7
XLogP3:-7.7
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:23
Exact Mass:664.29155010
Monoisotopic Mass:664.29155010
Topological Polar Surface Area:347
Heavy Atom Count:46
Complexity:1090
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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