IC6
Summary
| Name: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid |
| Formula: | C18 H23 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 329.394 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H23N3O3/c22-17(9-5-2-6-11-21-12-10-19-14-21)20-16(18(23)24)13-15-7-3-1-4-8-15/h1,3-4,7-8,10,12,14,16H,2,5-6,9,11,13H2,(H,20,22)(H,23,24)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | OYGVDLQSBSMVFU-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCn2ccnc2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCCn2ccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCCn2ccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(C(=O)O)NC(=O)CCCCCn2ccnc2 |
