IL0
Summary
| Name: | (2S,3S)-2-amino-3-methylpentane-1,1-diol |
| Formula: | C6 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 133.189 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3S)-2-amino-3-methylpentane-1,1-diol |
| OpenEye OEToolkits | 1.7.0 | (2S,3S)-2-azanyl-3-methyl-pentane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(O)C(N)C(C)CC |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@H](C)[C@H](N)C(O)O |
| SMILES | CACTVS | 3.370 | CC[CH](C)[CH](N)C(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC[C@H](C)[C@@H](C(O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCC(C)C(C(O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H15NO2/c1-3-4(2)5(7)6(8)9/h4-6,8-9H,3,7H2,1-2H3/t4-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | SJVQJVRPJSDEAQ-WHFBIAKZSA-N |
