TMD
Summary
| Name: | (6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-DIMETHYL-THREONINE |
| Formula: | C10 H21 N O3 |
| Formal charge: | 0 |
| Formula weight: | 203.279 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-butyl-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,3R,4R)-3-hydroxy-4-methyl-2-methylamino-octanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC)C(O)C(CCCC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCC[C@@H](C)[C@@H](O)[C@H](NC)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCC[CH](C)[CH](O)[CH](NC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCC(C)C(C(C(=O)O)NC)O |
| InChI | InChI | 1.03 | InChI=1S/C10H21NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h7-9,11-12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9-/m1/s1 |
| InChIKey | InChI | 1.03 | HGBRSLPVPAQWHK-HRDYMLBCSA-N |
