LEX
Summary
| Name: | (3S)-3-amino-1-hydroxy-5-methylhexan-2-one |
| Formula: | C7 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 145.199 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-amino-1-hydroxy-5-methylhexan-2-one |
| OpenEye OEToolkits | 1.7.0 | (3S)-3-azanyl-1-hydroxy-5-methyl-hexan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C(N)CC(C)C)CO |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](N)C(=O)CO |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](N)C(=O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@@H](C(=O)CO)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(C(=O)CO)N |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO2/c1-5(2)3-6(8)7(10)4-9/h5-6,9H,3-4,8H2,1-2H3/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | VEROGSXUMLPXMN-LURJTMIESA-N |
