A1H51
Summary
| Name: | (2~{S})-3-(1~{H}-imidazol-5-yl)-2-(tetradecanoylamino)propanoic acid |
| Formula: | C20 H35 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 365.51 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-3-(1~{H}-imidazol-5-yl)-2-(tetradecanoylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H35N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(24)23-18(20(25)26)14-17-15-21-16-22-17/h15-16,18H,2-14H2,1H3,(H,21,22)(H,23,24)(H,25,26)/t18-/m0/s1 |
| InChIKey | InChI | 1.06 | OFYZXDHFDCJNGQ-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCC(=O)N[C@@H](Cc1[nH]cnc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCC(=O)N[CH](Cc1[nH]cnc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCCC(=O)NC(Cc1cnc[nH]1)C(=O)O |
