E5I
Summary
| Name: | (1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone |
| Synonyms: | 10-Epi-maltophilin |
| Formula: | C29 H38 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 510.622 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H38N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21,24-25,27,32-33H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+,26-20-/t14-,15+,16+,17+,18-,19+,21-,24+,25-,27-/m0/s1 |
| InChIKey | InChI | 1.06 | GXFBXYRIFPTSTH-CDAWCUIISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H]1C[C@@H]2C[C@@H]3[C@H]4C\C=C/C(=O)NCC[C@H](O)[C@@H]5NC(=O)\C(=C(O)\C=C\[C@@H]4CC(=O)[C@H]3[C@@H]2[C@H]1C)C5=O |
| SMILES | CACTVS | 3.385 | CC[CH]1C[CH]2C[CH]3[CH]4CC=CC(=O)NCC[CH](O)[CH]5NC(=O)C(=C(O)C=C[CH]4CC(=O)[CH]3[CH]2[CH]1C)C5=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H]1C[C@@H]2C[C@@H]3[C@H]4C/C=C\C(=O)NCC[C@@H]([C@H]5C(=O)/C(=C(\C=C\[C@@H]4CC(=O)[C@H]3[C@@H]2[C@H]1C)/O)/C(=O)N5)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC1CC2CC3C4CC=CC(=O)NCCC(C5C(=O)C(=C(C=CC4CC(=O)C3C2C1C)O)C(=O)N5)O |
