ZX9
Summary
| Name: | (2S)-2-cyclopentyl-2-phenyl-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}ethanamide |
| Formula: | C20 H30 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 362.463 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-cyclopentyl-2-phenyl-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}ethanamide |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-cyclopentyl-2-phenyl-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)C(c2ccccc2)C3CCCC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]1N[C@H](CNC(=O)[C@@H](C2CCCC2)c3ccccc3)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | C[CH]1N[CH](CNC(=O)[CH](C2CCCC2)c3ccccc3)[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)[C@H](c2ccccc2)C3CCCC3)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(C(C(N1)CNC(=O)C(c2ccccc2)C3CCCC3)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H30N2O4/c1-12-17(23)19(25)18(24)15(22-12)11-21-20(26)16(14-9-5-6-10-14)13-7-3-2-4-8-13/h2-4,7-8,12,14-19,22-25H,5-6,9-11H2,1H3,(H,21,26)/t12-,15+,16+,17+,18+,19+/m0/s1 |
| InChIKey | InChI | 1.03 | USPGDBVOHJFDBD-YFRSTRBHSA-N |
