CR0
Summary
| Name: | [2-(1-AMINO-2-HYDROXYPROPYL)-2-HYDROXY-4-ISOBUTYL-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETALDEHYDE |
| Synonyms: | 1-(2-ETHANONE)-2-HYDROXY-2-(1-AMINO-2-METHYL-2-ETHANOL)-4-(2-DIMETHYL)ETHANE-IMIDAZOLINE-5-ONE CHROMOPHORE (THR-LEU-GLY) |
| Formula: | C12 H21 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 287.312 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(2R)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(2-methylpropyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetaldehyde |
| OpenEye OEToolkits | 2.0.7 | 2-[(2~{R})-2-[(1~{S},2~{R})-1-azanyl-2-oxidanyl-propyl]-4-(2-methylpropyl)-2-oxidanyl-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CCN1C(=O)C(=NC1(O)C(N)C(O)C)CC(C)C |
| InChI | InChI | 1.06 | InChI=1S/C12H21N3O5/c1-6(2)4-8-11(19)15(5-9(17)18)12(20,14-8)10(13)7(3)16/h6-7,10,16,20H,4-5,13H2,1-3H3,(H,17,18)/t7-,10+,12-/m1/s1 |
| InChIKey | InChI | 1.06 | FVQZBMYUTGAMMN-INNHCVQGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CC1=N[C@](O)([C@@H](N)[C@@H](C)O)N(CC(O)=O)C1=O |
| SMILES | CACTVS | 3.385 | CC(C)CC1=N[C](O)([CH](N)[CH](C)O)N(CC(O)=O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@@H]([C@]1(N=C(C(=O)N1CC(=O)O)CC(C)C)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC1=NC(N(C1=O)CC(=O)O)(C(C(C)O)N)O |
