V1V
Summary
| Name: | (2S,3S)-3-amino-2-hydroxyhexanoic 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)-3-amino-2-hydroxyhexanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-3-azanyl-2-oxidanyl-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCC(N)C(O)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO3/c1-2-3-4(7)5(8)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | OIFGOYXLBOWNGQ-WHFBIAKZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@H](N)[C@H](O)C(O)=O |
| SMILES | CACTVS | 3.385 | CCC[CH](N)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@@H]([C@@H](C(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(C(C(=O)O)O)N |
