Z70
Summary
| Name: | (2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid |
| Synonyms: | 2-aminohomohistidine |
| Formula: | C7 H12 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 184.196 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-4-(2-azanyl-1H-imidazol-5-yl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCc1cnc(N)n1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCc1[nH]c(N)nc1)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCc1[nH]c(N)nc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c([nH]c(n1)N)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c([nH]c(n1)N)CCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H12N4O2/c8-5(6(12)13)2-1-4-3-10-7(9)11-4/h3,5H,1-2,8H2,(H,12,13)(H3,9,10,11)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | FXIIKDXCDODGRI-YFKPBYRVSA-N |
