Z0M
Summary
| Name: | N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-3-SULFANYLPROPANAMIDE |
| Synonyms: | GLCNACSTATIN F |
| Formula: | C19 H25 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 391.485 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide |
| OpenEye OEToolkits | 1.6.1 | N-[(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-phenethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC2c1nc(cn1C(C(O)C2O)CO)CCc3ccccc3)CCS |
| SMILES_CANONICAL | CACTVS | 3.352 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](NC(=O)CCS)c2nc(CCc3ccccc3)cn12 |
| SMILES | CACTVS | 3.352 | OC[CH]1[CH](O)[CH](O)[CH](NC(=O)CCS)c2nc(CCc3ccccc3)cn12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)CCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)NC(=O)CCS |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)CCc2cn3c(n2)C(C(C(C3CO)O)O)NC(=O)CCS |
| InChI | InChI | 1.03 | InChI=1S/C19H25N3O4S/c23-11-14-17(25)18(26)16(21-15(24)8-9-27)19-20-13(10-22(14)19)7-6-12-4-2-1-3-5-12/h1-5,10,14,16-18,23,25-27H,6-9,11H2,(H,21,24)/t14-,16-,17-,18-/m1/s1 |
| InChIKey | InChI | 1.03 | ZEEDRHPJCAOZKV-VDHUWJSZSA-N |
