A1EDR
Summary
| Name: | (1Z,3E,5E,7R,8S,10R,11R,12S,15S,16E,18E,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.07,15.08,12]octacosa-1,3,5,13,16,18-hexaene-20,27,28-trione |
| Formula: | C29 H36 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 476.607 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/C29H36N2O4/c1-3-20-18(2)17-23-21-10-5-6-12-25(32)27-28(34)24(31-29(27)35)11-8-16-30-26(33)13-7-4-9-19(21)14-15-22(20)23/h4-7,9-10,12-15,18-24,32H,3,8,11,16-17H2,1-2H3,(H,30,33)(H,31,35)/b9-4+,10-5+,12-6+,13-7+,27-25-/t18-,19+,20-,21+,22+,23-,24+/m1/s1 |
| InChIKey | InChI | 1.06 | CVEAXGCSTPLUIR-LMJBYUCESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H]1[C@H](C)C[C@H]2[C@H]1C=C[C@@H]3/C=C/C=C/C(=O)NCCC[C@@H]4NC(=O)C(=C(O)/C=C/C=C/[C@H]23)/C4=O |
| SMILES | CACTVS | 3.385 | CC[CH]1[CH](C)C[CH]2[CH]1C=C[CH]3C=CC=CC(=O)NCCC[CH]4NC(=O)C(=C(O)C=CC=C[CH]23)C4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H]1[C@@H](C[C@H]2[C@H]1C=C[C@H]\3[C@@H]2/C=C/C=C/C(=C/4\C(=O)[C@H](CCCNC(=O)/C=C/C=C3)NC4=O)/O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC1C(CC2C1C=CC3C2C=CC=CC(=C4C(=O)C(CCCNC(=O)C=CC=C3)NC4=O)O)C |
