U8S
Summary
| Name: | 3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine |
| Formula: | C6 H11 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 173.17 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[(2~{S})-2-oxidanyl-2,3-dihydro-1~{H}-imidazol-4-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CC1=CNC(O)N1)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C6H11N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4,6,8-9,12H,1,7H2,(H,10,11)/t4-,6-/m0/s1 |
| InChIKey | InChI | 1.06 | ISUKCUVQJCXRKC-NJGYIYPDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC1=CN[C@H](O)N1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC1=CN[CH](O)N1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=C(N[C@H](N1)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=C(NC(N1)O)CC(C(=O)O)N |
