7RC
Summary
| Name: | (2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid |
| Formula: | C8 H17 N2 O5 P |
| Formal charge: | 0 |
| Formula weight: | 252.205 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-4-(3-phosphonopropyl)piperazine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | CUVGUPIVTLGRGI-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CN(CCC[P](O)(O)=O)CCN1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CN(CCC[P](O)(O)=O)CCN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CN(C[C@@H](N1)C(=O)O)CCCP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CN(CC(N1)C(=O)O)CCCP(=O)(O)O |
