U51
Summary
| Name: | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid |
| Synonyms: | 9,11-AZOPROSTA-5Z,13E-DIEN-1-OIC ACID U-51605 |
| Formula: | C20 H32 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 332.48 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid |
| OpenEye OEToolkits | 1.7.6 | 7-[(1S,4R,5R,6R)-5-[(E)-oct-1-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]hept-5-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCC/C=C\CC2C1N=NC(C1)C2/C=C/CCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C20H32N2O2/c1-2-3-4-5-6-9-12-16-17(19-15-18(16)21-22-19)13-10-7-8-11-14-20(23)24/h7,9-10,12,16-19H,2-6,8,11,13-15H2,1H3,(H,23,24)/b10-7-,12-9+/t16-,17-,18-,19+/m1/s1 |
| InChIKey | InChI | 1.03 | SRIZDZJPKIYUPZ-IDUFWMFESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCC\C=C\[C@H]1[C@H]2C[C@H](N=N2)[C@@H]1C\C=C/CCCC(O)=O |
| SMILES | CACTVS | 3.370 | CCCCCCC=C[CH]1[CH]2C[CH](N=N2)[CH]1CC=CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCC/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)N=N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCC=CC1C2CC(C1CC=CCCCC(=O)O)N=N2 |
