TS9
Summary
| Name: | (2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid |
| Formula: | C6 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 163.172 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.7.0 | (2S,3S,4R)-2-azanyl-3,4-dihydroxy-3-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(O)(C)C(O)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](O)[C@@](C)(O)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](O)[C](C)(O)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H]([C@](C)([C@@H](C(=O)O)N)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(C)(C(C(=O)O)N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO4/c1-3(8)6(2,11)4(7)5(9)10/h3-4,8,11H,7H2,1-2H3,(H,9,10)/t3-,4-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | QYQDTSNOBSCUAW-ZMIZWQJLSA-N |
