R2T
Summary
| Name: | beta,gamma-dihydroxyglutamine |
| Formula: | C5 H10 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 178.143 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3R,4S)-2,5-diamino-3,4-dihydroxy-5-oxopentanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.7.6 | (2S,3R,4S)-2,5-bis(azanyl)-3,4-bis(oxidanyl)-5-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)C(O)C(O)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H10N2O5/c6-1(5(11)12)2(8)3(9)4(7)10/h1-3,8-9H,6H2,(H2,7,10)(H,11,12)/t1-,2+,3-/m0/s1 |
| InChIKey | InChI | 1.03 | KNSJPVSCCDSEJI-MGGFGJSXSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H]([C@@H](O)[C@H](O)C(N)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH]([CH](O)[CH](O)C(N)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [C@@H]([C@@H](C(=O)O)N)([C@@H](C(=O)N)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C(=O)O)N)(C(C(=O)N)O)O |
