BJF
Summary
| Name: | {2-[(1S)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1H-imidazol-1-yl}acetic acid |
| Synonyms: | CHROMOPHORE (LEU-LEU-GLY) |
| Formula: | C14 H25 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 283.367 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {2-[(1S)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1H-imidazol-1-yl}acetic acid |
| OpenEye OEToolkits | 2.0.6 | 2-[2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-(2-methylpropyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1c(CC(C)C)nc(C(N)CC(C)C)n1CC(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H25N3O3/c1-8(2)5-10(15)13-16-11(6-9(3)4)14(20)17(13)7-12(18)19/h8-10,20H,5-7,15H2,1-4H3,(H,18,19)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | ZLWZOWAVQYOHMA-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](N)c1nc(CC(C)C)c(O)n1CC(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](N)c1nc(CC(C)C)c(O)n1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)Cc1c(n(c(n1)[C@H](CC(C)C)N)CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)Cc1c(n(c(n1)C(CC(C)C)N)CC(=O)O)O |
