EEP
Summary
| Name: | (2S,4R)-2-amino-4,5-dihydroxy-4-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,4R)-2-amino-4,5-dihydroxy-4-methylpentanoic acid (non-preferred name) |
| OpenEye OEToolkits | 2.0.6 | (2~{S},4~{R})-2-azanyl-4-methyl-4,5-bis(oxidanyl)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C)(O)(CC(C(=O)O)N)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO4/c1-6(11,3-8)2-4(7)5(9)10/h4,8,11H,2-3,7H2,1H3,(H,9,10)/t4-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | ASHXMQKUZGLXMR-UJURSFKZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@](O)(CO)C[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | C[C](O)(CO)C[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@](C[C@@H](C(=O)O)N)(CO)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CC(C(=O)O)N)(CO)O |
