RCJ
Summary
| Name: | (2~{S},4~{S},5~{R},6~{R},7~{S},8~{R})-5-acetamido-2,4,6,7,8,9-hexakis(oxidanyl)nonanoic acid |
| Formula: | C11 H21 N O9 |
| Formal charge: | 0 |
| Formula weight: | 311.286 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (2~{S},4~{S},5~{R},6~{R},7~{S},8~{R})-5-acetamido-2,4,6,7,8,9-hexakis(oxidanyl)nonanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H21NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5-10,13,15-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,6-,7+,8+,9+,10+/m0/s1 |
| InChIKey | InChI | 1.03 | REORMAHRVILHOU-HQBQHRAMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@H]([C@@H](O)C[C@H](O)C(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]([CH](O)C[CH](O)C(O)=O)[CH](O)[CH](O)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(=O)N[C@H]([C@H](C[C@@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(=O)NC(C(CC(C(=O)O)O)O)C(C(C(CO)O)O)O |
