BMT
Summary
| Name: | 4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE |
| Formula: | C10 H19 N O3 |
| Formal charge: | 0 |
| Formula weight: | 201.263 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid |
| OpenEye OEToolkits | 1.7.2 | (E,2S,3R,4R)-4-methyl-2-(methylamino)-3-oxidanyl-oct-6-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NC)C(O)C(C/C=C/C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H19NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-9,11-12H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+,9-/m1/s1 |
| InChIKey | InChI | 1.03 | AHQFCPOIMVMDEZ-UNISNWAASA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN[C@@H]([C@H](O)[C@H](C)C\C=C\C)C(O)=O |
| SMILES | CACTVS | 3.370 | CN[CH]([CH](O)[CH](C)CC=CC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C/C=C/C[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC=CCC(C)C(C(C(=O)O)NC)O |
