| Phytochemical Name : Muracein B |
| PCNDIDM0163 |
| Pubchem CID : 5491014 |
| Molecular formula: C32H54N8O16 |
| Canonical SMILES : CC(C(=O)N(C(C)C(=O)O)C(=O)C(C)NC(=O)C(CCC(C(C(=O)N)N)C(=O)CCC(C(=O)O)N)N)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C |
Synonymes : Muracein B|90965-61-0|(2S)-10-[[(2R)-1-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]-[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-2,9-diamino-6-(1,2-diamino-2-oxoethyl)-5,10-dioxodecanoic acid|D-Alanine, N-(N-acetylmuramoyl)-L-alanyl-D-gamma-glutamyl-7-oxo-L-erythro-2,6,7-triaminoheptanoyl-D-alanyl- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.340 |
| Log Po/w (XLOGP3) : -10.870 |
| Log Po/w (WLOGP) : -6.530 |
| Log Po/w (MLOGP) : -8.370 |
| Log Po/w (SILICOS-IT) : -4.160 |
| Consensus Log Po/w : -5.920 |