ZHU
Summary
| Name: | Alchivemycin A |
| Formula: | C35 H51 N O5 |
| Formal charge: | 0 |
| Formula weight: | 565.783 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 | 1.03 | InChI=1S/C35H51NO5/c1-7-21(3)28(37)17-26-18-29(38)23(5)12-10-8-9-11-22(4)27-14-13-25-16-20(2)15-24(6)31(25)32(27)34(40)33-30(39)19-36(26)35(33)41/h7,11,13-14,20,23-27,29,31-32,38-39H,8-10,12,15-19H2,1-6H3/b21-7+,22-11+/t20-,23-,24+,25-,26-,27+,29-,31+,32+/m0/s1 |
| InChIKey | InChI | 1.03 | JHMIBJNFMQEKJX-UMHNJBJSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C=C(/C)C(=O)C[C@H]1C[C@H](O)[C@@H](C)CCCC\C=C(C)\[C@H]2C=C[C@H]3C[C@@H](C)C[C@@H](C)[C@H]3[C@@H]2C(=O)C4=C(O)C[N@]1C4=O |
| SMILES | CACTVS | 3.385 | CC=C(C)C(=O)C[CH]1C[CH](O)[CH](C)CCCCC=C(C)[CH]2C=C[CH]3C[CH](C)C[CH](C)[CH]3[CH]2C(=O)C4=C(O)C[N]1C4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C=C(\C)/C(=O)C[C@H]1C[C@@H]([C@H](CCCC/C=C(/[C@H]2C=C[C@H]3C[C@H](C[C@H]([C@H]3[C@@H]2C(=O)C4=C(CN1C4=O)O)C)C)\C)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC=C(C)C(=O)CC1CC(C(CCCCC=C(C2C=CC3CC(CC(C3C2C(=O)C4=C(CN1C4=O)O)C)C)C)C)O |
