0E5
Summary
| Name: | (2S,3R)-2-azanyl-3-methyl-3-oxidanyl-pentanoic acid |
| Formula: | C6 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 147.172 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3S)-2-amino-3-hydroxy-3-methylpentanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.7.6 | (2S,3R)-2-azanyl-3-methyl-3-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(O)(C)CC |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO3/c1-3-6(2,10)4(7)5(8)9/h4,10H,3,7H2,1-2H3,(H,8,9)/t4-,6?/m1/s1 |
| InChIKey | InChI | 1.03 | XHNHHUFIUAJZNF-NJXYFUOMSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@](C)(O)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | CC[C](C)(O)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@](C)([C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC(C)(C(C(=O)O)N)O |
