NZY
Summary
| Name: | N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-({[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name) |
| Formula: | C14 H25 N O10 |
| Formal charge: | 0 |
| Formula weight: | 367.349 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-({[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name) |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{S},4~{R},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)oxolan-2-yl]methoxymethyl]-4,5-bis(oxidanyl)oxan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(OCC1C(C(C(CO1)NC(=O)C)O)O)C2(C(C(O)C(CO)O2)O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H25NO10/c1-6(17)15-7-3-24-9(11(19)10(7)18)4-23-5-14(22)13(21)12(20)8(2-16)25-14/h7-13,16,18-22H,2-5H2,1H3,(H,15,17)/t7-,8+,9+,10+,11+,12+,13-,14-/m0/s1 |
| InChIKey | InChI | 1.03 | IKYIELAFHGQHPE-VWPLANBASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@H]1CO[C@H](COC[C@]2(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1CO[CH](COC[C]2(O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)COC[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1COC(C(C1O)O)COCC2(C(C(C(O2)CO)O)O)O |
