I2F
Summary
| Name: | (2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6-oxidanyl-hexyl]iminohexane-1,2,4-triol |
| Formula: | C12 H26 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 278.345 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6,6-bis(oxidanyl)hexyl]iminohexane-1,2,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H26N2O5/c1-8(11(17)6-9(16)7-15)14-5-3-2-4-10(13)12(18)19/h9-12,15-19H,2-7,13H2,1H3/b14-8+/t9-,10-,11+/m0/s1 |
| InChIKey | InChI | 1.06 | NOGRJEXZOQDSRE-WDLDIGNLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=NCCCC[C@H](N)C(O)O)[C@H](O)C[C@H](O)CO |
| SMILES | CACTVS | 3.385 | CC(=NCCCC[CH](N)C(O)O)[CH](O)C[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=N\CCCC[C@@H](C(O)O)N)/[C@@H](C[C@@H](CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=NCCCCC(C(O)O)N)C(CC(CO)O)O |
