ZI5
Summary
| Name: | (5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide |
| Formula: | C24 H41 N O2 |
| Formal charge: | 0 |
| Formula weight: | 375.588 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide |
| OpenEye OEToolkits | 2.0.7 | (5~{Z},8~{Z},11~{Z},13~{S},14~{Z})-13-methyl-~{N}-[(2~{R})-1-oxidanylpropan-2-yl]icosa-5,8,11,14-tetraenamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(NC(=O)CCC/C=C\C/C=C\C\C=C/C(C)/C=C\CCCCC)CO |
| InChI | InChI | 1.06 | InChI=1S/C24H41NO2/c1-4-5-6-12-15-18-22(2)19-16-13-10-8-7-9-11-14-17-20-24(27)25-23(3)21-26/h8-11,15-16,18-19,22-23,26H,4-7,12-14,17,20-21H2,1-3H3,(H,25,27)/b10-8-,11-9-,18-15-,19-16-/t22-,23+/m0/s1 |
| InChIKey | InChI | 1.06 | PDGRTYPSRMWVBI-MVYUADCHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC\C=C/[C@H](C)\C=C/C/C=C\C\C=C/CCCC(=O)N[C@H](C)CO |
| SMILES | CACTVS | 3.385 | CCCCCC=C[CH](C)C=CCC=CCC=CCCCC(=O)N[CH](C)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCC=CC(C)C=CCC=CCC=CCCCC(=O)NC(C)CO |
