HS9
Summary
| Name: | N-ALPHA-METHYL-L-HISTIDINAMIDE |
| Synonyms: | N-METHYL-L-HISTIDINAMIDE |
| Formula: | C7 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 168.196 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | Nalpha-methyl-L-histidinamide |
| OpenEye OEToolkits | 1.6.1 | (2S)-3-(1H-imidazol-4-yl)-2-methylamino-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)C(NC)Cc1ncnc1 |
| SMILES_CANONICAL | CACTVS | 3.352 | CN[C@@H](Cc1c[nH]cn1)C(N)=O |
| SMILES | CACTVS | 3.352 | CN[CH](Cc1c[nH]cn1)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CN[C@@H](Cc1c[nH]cn1)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | CNC(Cc1c[nH]cn1)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H12N4O/c1-9-6(7(8)12)2-5-3-10-4-11-5/h3-4,6,9H,2H2,1H3,(H2,8,12)(H,10,11)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | IKHTZFHDCRBHBJ-LURJTMIESA-N |
