UDL
Summary
| Name: | (2~{S},3~{R})-2-acetamido-4-methyl-3-oxidanyl-pentanoic acid |
| Formula: | C8 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 189.209 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R})-2-acetamido-4-methyl-3-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H15NO4/c1-4(2)7(11)6(8(12)13)9-5(3)10/h4,6-7,11H,1-3H3,(H,9,10)(H,12,13)/t6-,7+/m0/s1 |
| InChIKey | InChI | 1.06 | GIDOPHKISCKMBN-NKWVEPMBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H](O)[C@H](NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH](O)[CH](NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@H]([C@@H](C(=O)O)NC(=O)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C(C(=O)O)NC(=O)C)O |
