PCV
Summary
| Name: | 5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID |
| Synonyms: | PROCLAVAMINIC ACID |
| Formula: | C8 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 202.208 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-amino-2,4,5-trideoxy-2-(2-oxoazetidin-1-yl)-D-threo-pentonic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,3R)-5-amino-3-hydroxy-2-(2-oxoazetidin-1-yl)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N(C(C(=O)O)C(O)CCN)CC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | NCC[C@@H](O)[C@H](N1CCC1=O)C(O)=O |
| SMILES | CACTVS | 3.341 | NCC[CH](O)[CH](N1CCC1=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CN(C1=O)[C@@H]([C@@H](CCN)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CN(C1=O)C(C(CCN)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H14N2O4/c9-3-1-5(11)7(8(13)14)10-4-2-6(10)12/h5,7,11H,1-4,9H2,(H,13,14)/t5-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | NMCINKPVAOXDJH-VDTYLAMSSA-N |
