| Phytochemical Name : Muracein A |
| PCNDIDM0162 |
| Pubchem CID : 5491013 |
| Molecular formula: C26H44N6O14 |
| Canonical SMILES : CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)N)N)C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C |
Synonymes : Muracein A|90965-60-9|(6R)-2-[[(4S)-4-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxybutanoyl]amino]-6,7-diamino-7-oxoheptanoic acid|D-Lysinamide, N6-(N-(N-(N-acetylmuramoyl)-L-alanyl)-D-gamma-glutamyl)-6-carboxy-, erythro-|DTXSID00920032|3-O-(1-{[1-({4-[(5-Amino-1-carboxy-6-hydroxy-6-iminohexyl)imino]-1-carboxy-4-hydroxybutyl}imino)-1-hydroxypropan-2-yl]imino}-1-hydroxypropan-2-yl)-2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranose |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.560 |
| Log Po/w (XLOGP3) : -6.870 |
| Log Po/w (WLOGP) : -5.260 |
| Log Po/w (MLOGP) : -5.150 |
| Log Po/w (SILICOS-IT) : -3.280 |
| Consensus Log Po/w : -4.220 |