BG5
Summary
| Name: | 5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID |
| Formula: | C6 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 160.171 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R,5R)-5-(hydroxyamino)-3-methyl-D-proline |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},5~{R})-3-methyl-5-(oxidanylamino)pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1NC(NO)CC1C |
| InChI | InChI | 1.06 | InChI=1S/C6H12N2O3/c1-3-2-4(8-11)7-5(3)6(9)10/h3-5,7-8,11H,2H2,1H3,(H,9,10)/t3-,4-,5-/m1/s1 |
| InChIKey | InChI | 1.06 | PEFGUPQPFCDBPY-UOWFLXDJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1C[C@@H](NO)N[C@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1C[CH](NO)N[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1C[C@H](N[C@H]1C(=O)O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(NC1C(=O)O)NO |
