ZX6
Summary
| Name: | 2-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide |
| Formula: | C17 H23 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 333.382 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide |
| OpenEye OEToolkits | 1.5.0 | 2-(1H-indol-3-yl)-N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-piperidin-2-yl]methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCC1NC(C(O)C(O)C1O)C)Cc3c2ccccc2nc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]1N[C@H](CNC(=O)Cc2c[nH]c3ccccc23)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | C[CH]1N[CH](CNC(=O)Cc2c[nH]c3ccccc23)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)Cc2c[nH]c3c2cccc3)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(C(C(N1)CNC(=O)Cc2c[nH]c3c2cccc3)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H23N3O4/c1-9-15(22)17(24)16(23)13(20-9)8-19-14(21)6-10-7-18-12-5-3-2-4-11(10)12/h2-5,7,9,13,15-18,20,22-24H,6,8H2,1H3,(H,19,21)/t9-,13+,15+,16+,17+/m0/s1 |
| InChIKey | InChI | 1.03 | SIWZFSDAFLUSGA-CXQPTDBTSA-N |
