B3U
Summary
| Name: | 2-amino-L-histidine |
| Formula: | C6 H10 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 170.169 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-L-histidine |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-3-(2-azanyl-1H-imidazol-5-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1cnc(N)n1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1[nH]c(N)nc1)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1[nH]c(N)nc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c([nH]c(n1)N)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c([nH]c(n1)N)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | UYEGXSNFZXWSDV-BYPYZUCNSA-N |
