D8M
Summary
| Name: | 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-(pyridin-2-ylmethyl)acetamide |
| Formula: | C13 H19 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 281.308 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-(pyridin-2-ylmethyl)acetamide (non-preferred name) |
| OpenEye OEToolkits | 2.0.6 | 2-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-~{N}-(pyridin-2-ylmethyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC2C(CC(=O)NCc1ccccn1)OC(C2O)CN |
| InChI | InChI | 1.03 | InChI=1S/C13H19N3O4/c14-6-10-13(19)12(18)9(20-10)5-11(17)16-7-8-3-1-2-4-15-8/h1-4,9-10,12-13,18-19H,5-7,14H2,(H,16,17)/t9-,10+,12-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | BIGFPMOCLWRIMB-JULQROHOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@H]1O[C@@H](CC(=O)NCc2ccccn2)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | NC[CH]1O[CH](CC(=O)NCc2ccccn2)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)CNC(=O)C[C@H]2[C@@H]([C@@H]([C@H](O2)CN)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)CNC(=O)CC2C(C(C(O2)CN)O)O |
