IRV
Summary
| Name: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid |
| Formula: | C17 H21 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 315.367 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H21N3O3/c21-16(8-4-5-10-20-11-9-18-13-20)19-15(17(22)23)12-14-6-2-1-3-7-14/h1-3,6-7,9,11,13,15H,4-5,8,10,12H2,(H,19,21)(H,22,23)/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | XWFLBNSJOTZCGC-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCn2ccnc2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCn2ccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCn2ccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(C(=O)O)NC(=O)CCCCn2ccnc2 |
