F7Z
Summary
| Name: | (1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione |
| Synonyms: | epoxyikarugamycin |
| Formula: | C29 H38 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 494.622 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/C29H38N2O5/c1-3-16-14(2)12-18-19-13-15-9-10-21(32)25-26(34)20(31-29(25)35)7-5-11-30-22(33)8-4-6-17(15)24(19)28-27(36-28)23(16)18/h4,8-10,14-20,23-24,27-28,32H,3,5-7,11-13H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,10-9+,25-21-/t14-,15-,16-,17+,18-,19-,20+,23+,24-,27-,28+/m1/s1 |
| InChIKey | InChI | 1.06 | XVOOQLPJKAEVAZ-CGBNOSMTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H]1[C@H](C)C[C@@H]2[C@H]3C[C@H]4/C=C/C(=C5/C(=O)N[C@@H](CCCNC(=O)\C=C/C[C@@H]4[C@H]3[C@@H]6O[C@@H]6[C@@H]12)C5=O)O |
| SMILES | CACTVS | 3.385 | CC[CH]1[CH](C)C[CH]2[CH]3C[CH]4C=CC(=C5C(=O)N[CH](CCCNC(=O)C=CC[CH]4[CH]3[CH]6O[CH]6[CH]12)C5=O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H]1[C@@H](C[C@H]2[C@H]1[C@@H]3[C@@H](O3)[C@H]4[C@@H]2C[C@@H]/5[C@@H]4C/C=C\C(=O)NCCC[C@H]6C(=O)/C(=C(\C=C5)/O)/C(=O)N6)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC1C(CC2C1C3C(O3)C4C2CC5C4CC=CC(=O)NCCCC6C(=O)C(=C(C=C5)O)C(=O)N6)C |
