G1X
Summary
| Name: | (2S)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid |
| Synonyms: | L-dopaquinone |
| Formula: | C9 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 195.172 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | AHMIDUVKSGCHAU-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC1=CC(=O)C(=O)C=C1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC1=CC(=O)C(=O)C=C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CC(=O)C(=O)C=C1CC(C(=O)O)N |
