0HX
Summary
| Name: | pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid |
| Synonyms: | pentan-3-yl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enosiduronic acid; pentan-3-yl 2-acetamido-2,4-dideoxy-L-threo-hex-4-enosiduronic acid; pentan-3-yl 2-acetamido-2,4-dideoxy-threo-hex-4-enosiduronic acid |
| Formula: | C13 H21 N O6 |
| Formal charge: | 0 |
| Formula weight: | 287.309 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S})-3-acetamido-4-oxidanyl-2-pentan-3-yloxy-3,4-dihydro-2~{H}-pyran-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H21NO6/c1-4-8(5-2)19-13-11(14-7(3)15)9(16)6-10(20-13)12(17)18/h6,8-9,11,13,16H,4-5H2,1-3H3,(H,14,15)(H,17,18)/t9-,11+,13+/m0/s1 |
| InChIKey | InChI | 1.03 | UUULUCUBSUJBNQ-UFGOTCBOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CC)O[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CCC(CC)O[CH]1OC(=C[CH](O)[CH]1NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)O[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)OC1C(C(C=C(O1)C(=O)O)O)NC(=O)C |
