DMT
Summary
| Name: | 3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMINO)-6-OCTENOIC ACID |
| Formula: | C11 H21 N O3 |
| Formal charge: | 0 |
| Formula weight: | 215.289 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-4-methyl-2-(methylamino)-D-arabinonic acid |
| OpenEye OEToolkits | 1.5.0 | (E,2S,3R)-3-hydroxy-4,4-dimethyl-2-methylamino-oct-6-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC)C(O)C(C/C=C/C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN[C@@H]([C@H](O)C(C)(C)C\C=C\C)C(O)=O |
| SMILES | CACTVS | 3.341 | CN[CH]([CH](O)C(C)(C)CC=CC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C\C=C\CC(C)(C)[C@H]([C@@H](C(=O)O)NC)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC=CCC(C)(C)C(C(C(=O)O)NC)O |
| InChI | InChI | 1.03 | InChI=1S/C11H21NO3/c1-5-6-7-11(2,3)9(13)8(12-4)10(14)15/h5-6,8-9,12-13H,7H2,1-4H3,(H,14,15)/b6-5+/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | NPTONCQMXQFBMD-MUNZNRDXSA-N |
