F7S
Summary
| Name: | (4S)-5-hydroxy-N-methyl-L-leucine |
| Formula: | C7 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 161.199 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-5-hydroxy-N-methyl-L-leucine |
| OpenEye OEToolkits | 2.0.6 | (2~{S},4~{S})-4-methyl-2-(methylamino)-5-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNC(CC(C)CO)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO3/c1-5(4-9)3-6(8-2)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | CVXBLRFZEQMDMI-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](C[C@H](C)CO)C(O)=O |
| SMILES | CACTVS | 3.385 | CN[CH](C[CH](C)CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](C[C@@H](C(=O)O)NC)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CC(C(=O)O)NC)CO |
