SNW
Summary
| Name: | Deoxyfructosylglutamine |
| Synonyms: | santhopine |
| Formula: | C11 H20 N2 O8 |
| Formal charge: | 0 |
| Formula weight: | 308.285 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{R},3~{S},4~{R},5~{R})-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylamino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H20N2O8/c12-7(15)2-1-5(10(18)19)13-4-11(20)9(17)8(16)6(14)3-21-11/h5-6,8-9,13-14,16-17,20H,1-4H2,(H2,12,15)(H,18,19)/t5-,6+,8+,9-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | SNIATPDKUZZXAT-VISRLPHGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CC[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=O)CC[CH](NC[C]1(O)OC[CH](O)[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCC(=O)N)C(=O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | C1C(C(C(C(O1)(CNC(CCC(=O)N)C(=O)O)O)O)O)O |
