3GL
Summary
| Name: | (2S,4S)-2-amino-4-hydroxy-pentanedioic acid |
| Synonyms: | 4-HYDROXY-GLUTAMIC-ACID |
| Formula: | C5 H9 N O5 |
| Formal charge: | 0 |
| Formula weight: | 163.129 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,4S)-2-amino-4-hydroxypentanedioic acid (non-preferred name) |
| OpenEye OEToolkits | 1.6.1 | (2S,4S)-2-amino-4-hydroxy-pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CC(O)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | N[C@@H](C[C@H](O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.352 | N[CH](C[CH](O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C([C@@H](C(=O)O)N)[C@@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | C(C(C(=O)O)N)C(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3-/m0/s1 |
| InChIKey | InChI | 1.03 | HBDWQSHEVMSFGY-HRFVKAFMSA-N |
