IIC
Summary
| Name: | 4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHORE |
| Formula: | C11 H15 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 281.268 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(2S)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(1H-imidazol-5-ylmethyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[2-[(1R)-1-amino-2-hydroxy-ethyl]-4-(3H-imidazol-4-ylmethyl)-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)CO)Cc2cncn2 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CO)[C@H]1N=C(Cc2[nH]cnc2)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CO)[CH]1N=C(Cc2[nH]cnc2)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c([nH]cn1)CC2=NC(N(C2=O)CC(=O)O)[C@H](CO)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c([nH]cn1)CC2=NC(N(C2=O)CC(=O)O)C(CO)N |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5O4/c12-7(4-17)10-15-8(1-6-2-13-5-14-6)11(20)16(10)3-9(18)19/h2,5,7,10,17H,1,3-4,12H2,(H,13,14)(H,18,19)/t7-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | ZUHFMWFOPOTPRB-XVKPBYJWSA-N |
