IM3
Summary
| Name: | (2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID |
| Synonyms: | IMINO-DOPA |
| Formula: | C9 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 195.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-(3,4-dihydroxyphenyl)-2-imino-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=[N@H])Cc1cc(O)c(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=N)Cc1ccc(O)c(O)c1 |
| SMILES | CACTVS | 3.341 | OC(=O)C(=N)Cc1ccc(O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\Cc1ccc(c(c1)O)O)/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(Cc1ccc(c(c1)O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,10-12H,3H2,(H,13,14)/b10-6+ |
| InChIKey | InChI | 1.03 | VFINRVRRNHRWEQ-UXBLZVDNSA-N |
