FWL
Summary
| Name: | 3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1H-pyrrol-3-yl]propanoic acid |
| Synonyms: | 2-iodoporphobilinogen |
| Formula: | C10 H13 I N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 352.126 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[5-(aminomethyl)-4-(2-hydroxy-2-oxoethyl)-2-iodanyl-1~{H}-pyrrol-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H13IN2O4/c11-10-5(1-2-8(14)15)6(3-9(16)17)7(4-12)13-10/h13H,1-4,12H2,(H,14,15)(H,16,17) |
| InChIKey | InChI | 1.03 | SQCPKOTYDSJOKL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1[nH]c(I)c(CCC(O)=O)c1CC(O)=O |
| SMILES | CACTVS | 3.385 | NCc1[nH]c(I)c(CCC(O)=O)c1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CC(=O)O)c1c(c([nH]c1I)CN)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CC(=O)O)c1c(c([nH]c1I)CN)CC(=O)O |
