X9Q
Summary
| Name: | {(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID |
| Synonyms: | CHROMOPHORE (ALA, PHE, GLY) |
| Formula: | C14 H17 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 275.303 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {(2S)-2-[(1S)-1-aminoethyl]-4-benzyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[2-[(1S)-1-aminoethyl]-5-oxo-4-(phenylmethyl)-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)Cc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](N)[C@H]1N=C(Cc2ccccc2)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](N)[CH]1N=C(Cc2ccccc2)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C1N=C(C(=O)N1CC(=O)O)Cc2ccccc2)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C1N=C(C(=O)N1CC(=O)O)Cc2ccccc2)N |
| InChI | InChI | 1.03 | InChI=1S/C14H17N3O3/c1-9(15)13-16-11(7-10-5-3-2-4-6-10)14(20)17(13)8-12(18)19/h2-6,9,13H,7-8,15H2,1H3,(H,18,19)/t9-,13-/m0/s1 |
| InChIKey | InChI | 1.03 | IGZCWBWPHPOBFS-ZANVPECISA-N |
