PVH
Summary
| Name: | HISTIDINE-METHYL-ESTER |
| Formula: | C7 H12 N3 O2 |
| Formal charge: | 1 |
| Formula weight: | 170.189 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl 3-(1H-imidazol-3-ium-4-yl)-L-alaninate |
| OpenEye OEToolkits | 1.5.0 | methyl (2S)-2-amino-3-(1H-imidazol-3-ium-4-yl)propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC)C(N)Cc1cnc[nH+]1 |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)[C@@H](N)Cc1c[nH]c[nH+]1 |
| SMILES | CACTVS | 3.341 | COC(=O)[CH](N)Cc1c[nH]c[nH+]1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)[C@H](Cc1c[nH]c[nH+]1)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)C(Cc1c[nH]c[nH+]1)N |
| InChI | InChI | 1.03 | InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)/p+1/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | BXRMEWOQUXOLDH-LURJTMIESA-O |
