6PZ
Summary
| Name: | 5,7-bisacetamido-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid |
| Synonyms: | (2~{S},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2,4-bis(oxidanyl)oxane-2-carboxyl
ic acid Pseudaminic acid; 5,7-bisacetamido-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulosonic acid; 5,7-bisacetamido-3,5,7,9-tetradeoxy-L-glycero-L-manno-non-2-ulosonic acid; 5,7-bisacetamido-3,5,7,9-tetradeoxy-L-glycero-manno-non-2-ulosonic acid |
| Formula: | C13 H22 N2 O8 |
| Formal charge: | 0 |
| Formula weight: | 334.322 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2,4-bis(oxidanyl)oxane-2-carboxyl ic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H22N2O8/c1-5(16)9(14-6(2)17)11-10(15-7(3)18)8(19)4-13(22,23-11)12(20)21/h5,8-11,16,19,22H,4H2,1-3H3,(H,14,17)(H,15,18)(H,20,21)/t5-,8-,9-,10-,11-,13-/m0/s1 |
| InChIKey | InChI | 1.03 | ZJOSXOOPEBJBMC-LJRWBPDUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)[C@H](NC(C)=O)[C@@H]1O[C@@](O)(C[C@H](O)[C@@H]1NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](NC(C)=O)[CH]1O[C](O)(C[CH](O)[CH]1NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)NC(=O)C)NC(=O)C)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(C1C(C(CC(O1)(C(=O)O)O)O)NC(=O)C)NC(=O)C)O |
