CJ8
Summary
Name: | (2~{R},3~{R})-2,3-bis(oxidanyl)-~{N},~{N}'-dipropyl-butanediamide |
Formula: | C10 H20 N2 O4 |
Formal charge: | 0 |
Formula weight: | 232.277 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | (2~{R},3~{R})-2,3-bis(oxidanyl)-~{N},~{N}'-dipropyl-butanediamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C10H20N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h7-8,13-14H,3-6H2,1-2H3,(H,11,15)(H,12,16)/t7-,8-/m1/s1 |
InChIKey | InChI | 1.03 | GCNAACQQQUCOMO-HTQZYQBOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCC |
SMILES | CACTVS | 3.385 | CCCNC(=O)[CH](O)[CH](O)C(=O)NCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCNC(=O)[C@@H]([C@H](C(=O)NCCC)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCNC(=O)C(C(C(=O)NCCC)O)O |