LAY
Summary
| Name: | N-acetyl-L-leucine |
| Formula: | C8 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 173.21 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-acetyl-L-leucine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-acetamido-4-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)O)CC(C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | WXNXCEHXYPACJF-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H](C(=O)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C(=O)O)NC(=O)C |
