RQJ
Summary
| Name: | deoxyproclavaminic acid |
| Synonyms: | (2S)-5-amino-2-(2-oxoazetidin-1-yl)pentanoic acid |
| Formula: | C8 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 186.208 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-5-amino-2-(2-oxoazetidin-1-yl)pentanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-5-azanyl-2-(2-oxidanylideneazetidin-1-yl)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(C(C(=O)O)CCCN)C(=O)CC1 |
| InChI | InChI | 1.03 | InChI=1S/C8H14N2O3/c9-4-1-2-6(8(12)13)10-5-3-7(10)11/h6H,1-5,9H2,(H,12,13)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | WVWZICZAWWGULB-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCC[C@H](N1CCC1=O)C(O)=O |
| SMILES | CACTVS | 3.385 | NCCC[CH](N1CCC1=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CN(C1=O)[C@@H](CCCN)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CN(C1=O)C(CCCN)C(=O)O |
