OIB
Summary
| Name: | hydroxylated gamma-amino valeroyl moiety |
| Synonyms: | (2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid (2S,3R,4S)-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid |
| Formula: | C6 H13 N O5 |
| Formal charge: | 0 |
| Formula weight: | 179.171 Da |
| Component type: | L-beta-peptide, C-gamma linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H13NO5/c1-12-3(2-7)4(8)5(9)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4-,5-/m0/s1 |
| InChIKey | InChI | 1.06 | AZZQNKGHODDJIM-YUPRTTJUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H](CN)[C@H](O)[C@H](O)C(O)=O |
| SMILES | CACTVS | 3.385 | CO[CH](CN)[CH](O)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CO[C@@H](CN)[C@@H]([C@@H](C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COC(CN)C(C(C(=O)O)O)O |
