| Phytochemical Name : Aspergillomarasmine B |
| PCNDIDA0213 |
| Pubchem CID : 3083795 |
| Molecular formula: C9H14N2O8 |
| Canonical SMILES : C(C(C(=O)O)NCC(C(=O)O)NCC(=O)O)C(=O)O |
Synonymes : Aspergillomarasmine B|3262-58-6|UNII-L5H5MK7H06|L5H5MK7H06|(2S)-2-[[(2R)-2-carboxy-2-(carboxymethylamino)ethyl]amino]butanedioic acid|Aspartic acid, N-(2-carboxy-2-((carboxymethyl)amino)ethyl)-|C9H14N2O8|C9-H14-N2-O8|SCHEMBL17616069|DTXSID10186309|Q27282738|(2S)-2-(((2R)-2-(CARBOXYMETHYLAMINO)-3-HYDROXY-3-KETO-PROPYL)AMINO)SUCCINIC ACID |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.140 |
| Log Po/w (XLOGP3) : -6.840 |
| Log Po/w (WLOGP) : -2.370 |
| Log Po/w (MLOGP) : -6.520 |
| Log Po/w (SILICOS-IT) : -2.280 |
| Consensus Log Po/w : -3.630 |