ZX7
Summary
| Name: | N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1H-indole-2-carboxamide |
| Formula: | C16 H21 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 319.356 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1H-indole-2-carboxamide |
| OpenEye OEToolkits | 1.5.0 | N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-piperidin-2-yl]methyl]-1H-indole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCC1NC(C(O)C(O)C1O)C)c3cc2ccccc2n3 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]1N[C@H](CNC(=O)c2[nH]c3ccccc3c2)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | C[CH]1N[CH](CNC(=O)c2[nH]c3ccccc3c2)[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)c2cc3ccccc3[nH]2)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(C(C(N1)CNC(=O)c2cc3ccccc3[nH]2)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H21N3O4/c1-8-13(20)15(22)14(21)12(18-8)7-17-16(23)11-6-9-4-2-3-5-10(9)19-11/h2-6,8,12-15,18-22H,7H2,1H3,(H,17,23)/t8-,12+,13+,14+,15+/m0/s1 |
| InChIKey | InChI | 1.03 | VHAWVXPAMQXIGT-LMYWXWJPSA-N |
