PT3
Summary
| Name: | N-PROPYL-TARTRAMIC ACID |
| Formula: | C7 H13 N O5 |
| Formal charge: | 0 |
| Formula weight: | 191.182 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3R)-2,3-dihydroxy-4-oxo-4-(propylamino)butanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,3R)-2,3-dihydroxy-4-oxo-4-propylamino-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCCC)C(O)C(O)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCNC(=O)[C@H](O)[C@@H](O)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCNC(=O)[CH](O)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCNC(=O)[C@@H]([C@H](C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCNC(=O)C(C(C(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO5/c1-2-3-8-6(11)4(9)5(10)7(12)13/h4-5,9-10H,2-3H2,1H3,(H,8,11)(H,12,13)/t4-,5-/m1/s1 |
| InChIKey | InChI | 1.03 | LNEZKQHJUNIZIS-RFZPGFLSSA-N |
