A1A5T
Summary
| Name: | (4S)-5-butoxy-N-methyl-L-leucine |
| Formula: | C11 H23 N O3 |
| Formal charge: | 0 |
| Formula weight: | 217.305 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (4S)-5-butoxy-N-methyl-L-leucine |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{S})-5-butoxy-4-methyl-2-(methylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CNC(CC(C)COCCCC)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C11H23NO3/c1-4-5-6-15-8-9(2)7-10(12-3)11(13)14/h9-10,12H,4-8H2,1-3H3,(H,13,14)/t9-,10-/m0/s1 |
| InChIKey | InChI | 1.06 | MGCKTHOZOXZKEC-UWVGGRQHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCOC[C@@H](C)C[C@H](NC)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCOC[CH](C)C[CH](NC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCOC[C@@H](C)C[C@@H](C(=O)O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCOCC(C)CC(C(=O)O)NC |
