CRF
Summary
| Name: | [(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
| Formula: | C17 H18 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 342.349 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 2-[2-[(1R,2R)-1-azanyl-2-hydroxy-propyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@@H](O)[C@H](N)C1=N\C(=C/c2c[nH]c3ccccc23)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.352 | C[CH](O)[CH](N)C1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H]([C@@H](C1=NC(=Cc2c[nH]c3c2cccc3)C(=O)N1CC(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(C1=NC(=Cc2c[nH]c3c2cccc3)C(=O)N1CC(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C17H18N4O4/c1-9(22)15(18)16-20-13(17(25)21(16)8-14(23)24)6-10-7-19-12-5-3-2-4-11(10)12/h2-7,9,15,19,22H,8,18H2,1H3,(H,23,24)/b13-6-/t9-,15+/m1/s1 |
| InChIKey | InChI | 1.03 | COQNVMWLDCUFMG-HNGJRXCUSA-N |
