CLV
Summary
| Name: | {(2S)-2-[(1S)-1-AMINOETHYL]-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID |
| Synonyms: | CHROMOPHORE (ALA-PHE-GLY) |
| Formula: | C7 H11 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 185.181 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {(2S)-2-[(1S)-1-aminoethyl]-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[2-[(1S)-1-aminoethyl]-5-oxo-2H-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C=NC(N1CC(=O)O)C(N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](N)[C@H]1N=CC(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](N)[CH]1N=CC(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C1N=CC(=O)N1CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C1N=CC(=O)N1CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H11N3O3/c1-4(8)7-9-2-5(11)10(7)3-6(12)13/h2,4,7H,3,8H2,1H3,(H,12,13)/t4-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | BWZRMBUNAOJHOY-FFWSUHOLSA-N |
