ZI2
Summary
| Name: | [(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-4-amino-2,4-dideoxy-beta-D-glucopyranoside |
| Formula: | C13 H24 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 320.339 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-4-amino-2,4-dideoxy-beta-D-glucopyranoside |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{S})-5-azanyl-2-[[(2~{S})-1,4-dioxan-2-yl]methoxy]-6-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)NC1C(O)C(N)C(CO)OC1OCC1COCCO1 |
| InChI | InChI | 1.06 | InChI=1S/C13H24N2O7/c1-7(17)15-11-12(18)10(14)9(4-16)22-13(11)21-6-8-5-19-2-3-20-8/h8-13,16,18H,2-6,14H2,1H3,(H,15,17)/t8-,9+,10+,11+,12-,13+/m0/s1 |
| InChIKey | InChI | 1.06 | WHUIOPAZXMZGEJ-ZSIRSIGDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1[C@@H](O)[C@H](N)[C@@H](CO)O[C@H]1OC[C@@H]2COCCO2 |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)[CH](N)[CH](CO)O[CH]1OC[CH]2COCCO2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2COCCO2)CO)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1C(C(C(OC1OCC2COCCO2)CO)N)O |
