muramylNAc-Ala-isoGln-Lys-tripeptide

2-[[4-[2-[2-(2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl)oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-6-aminoheptanedioic acid

Also Known As: Murnac-tripeptide|Muramyl tripeptide|MuramylNAc-Ala-isoGln-Lys-tripeptide|Acmu-ala-iso-gln-2,2'-diaminopimelic acid|Ac-Mur-L-ala-gamma-D-gln-meso-A(2)pm|N-acetylmuramyl-L-alanyl-D-isoglutaminyl-L-lysine|2-[[4-[2-[2-(2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl)oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-6-aminoheptanedioic acid|N-Acetylmuramyl-alanyl-isoglutaminyl-meso-2,2'-diaminopimelic acid|N-(N-Acetylmuramoyl)-L-alanyl-D-alpha-glutaminyl-6-carboxylysine,|2-amino-6-{[13-carbamoyl-4-formyl-7,10-dimethyl-2,8,11,16-tetraoxo-5-(1,2,3-trihydroxypropyl)-6-oxa-3,9,12-triazahexadecan-16-yl]amino}heptanedioic acid(non-preferred name)|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-

Molecular Formula	C26H44N6O14
Molecular Weight	664.29156 g/mol
LogP	-5.42
Topological Polar Surface Area	347.1 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	13
Rotatable Bonds	23
Exact Mass	664.29156
Heavy Atoms	46
Complexity	1091.3

Chemical Identifiers

CAS Number	64374-58-9
SMILES	CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)O)C(=O)N)NC(=O)C(C)OC(C(C=O)NC(=O)C)C(C(CO)O)O