NZH
Summary
| Name: | (2S)-2-AMINO-3-[1-(1H-TETRAAZOL-5-YL)-1H-IMIDAZOL-4-YL]PROPANAL |
| Synonyms: | TETRAZOLYL HISTIDINE |
| Formula: | C7 H9 N7 O |
| Formal charge: | 0 |
| Formula weight: | 207.193 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-3-[1-(1H-tetrazol-5-yl)-1H-imidazol-4-yl]propanal |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-[1-(1H-1,2,3,4-tetrazol-5-yl)imidazol-4-yl]propanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CC(N)Cc2ncn(c1nnnn1)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1cn(cn1)c2[nH]nnn2)C=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1cn(cn1)c2[nH]nnn2)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(ncn1c2[nH]nnn2)C[C@@H](C=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(ncn1c2[nH]nnn2)CC(C=O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H9N7O/c8-5(3-15)1-6-2-14(4-9-6)7-10-12-13-11-7/h2-5H,1,8H2,(H,10,11,12,13)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | OOFNCFXOGMDAEN-YFKPBYRVSA-N |
