DY8
Summary
| Name: | Morpholinohistidine |
| Formula: | C10 H17 N3 O3 |
| Formal charge: | 2 |
| Formula weight: | 227.26 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-3-(1~{H}-imidazol-3-ium-5-yl)-2-morpholin-4-ium-4-yl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H15N3O3/c14-10(15)9(5-8-6-11-7-12-8)13-1-3-16-4-2-13/h6-7,9H,1-5H2,(H,11,12)(H,14,15)/p+2/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | JPWIPIHZQZQXRJ-VIFPVBQESA-P |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H](Cc1[nH]c[nH+]c1)[NH+]2CCOCC2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH](Cc1[nH]c[nH+]c1)[NH+]2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCOCC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c([nH]c[nH+]1)CC(C(=O)O)[NH+]2CCOCC2 |
