| Phytochemical Name : 2-({2-[(2-Amino-2-carboxyethyl)amino]-2-carboxyethyl}amino)butanedioic acid |
| PCNDIDOT0445 |
| Pubchem CID : 10267199 |
| Molecular formula: C10H17N3O8 |
| Canonical SMILES : C(C(C(=O)O)NCC(C(=O)O)NCC(C(=O)O)N)C(=O)O |
Synonymes : Aspergillomarasmine A|Toxin C|3484-65-9|2-({2-[(2-amino-2-carboxyethyl)amino]-2-carboxyethyl}amino)butanedioic acid|2-[[2-[(2-amino-2-carboxyethyl)amino]-2-carboxyethyl]amino]butanedioic acid|C10H17N3O8|C10-H17-N3-O8|SCHEMBL18789475|CHEBI:180884|N-[2-(2-Amino-2-carboxyethyl)amino]-2-carboxyaspartic acid, 9CI |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.780 |
| Log Po/w (XLOGP3) : -10.030 |
| Log Po/w (WLOGP) : -3.040 |
| Log Po/w (MLOGP) : -9.190 |
| Log Po/w (SILICOS-IT) : -2.840 |
| Consensus Log Po/w : -5.180 |