A1LWM
Summary
| Name: | (4R,5S)-4-methyl-5-phenyl-3-((2R,3S,4S,6E,10E)-2,6,10-triethyl-3-hydroxy-4-methyldodeca-6,10-dienoyl)oxazolidin-2-one |
| Formula: | C29 H43 N O4 |
| Formal charge: | 0 |
| Formula weight: | 469.656 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-methyl-5-phenyl-3-[(2~{R},3~{S},4~{S},6~{E},10~{E})-2,6,10-triethyl-4-methyl-3-oxidanyl-dodeca-6,10-dienoyl]-1,3-oxazolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H43NO4/c1-7-22(8-2)15-14-16-23(9-3)19-20(5)26(31)25(10-4)28(32)30-21(6)27(34-29(30)33)24-17-12-11-13-18-24/h7,11-13,16-18,20-21,25-27,31H,8-10,14-15,19H2,1-6H3/b22-7+,23-16+/t20-,21?,25?,26?,27?/m0/s1 |
| InChIKey | InChI | 1.06 | GIEHXLSOYWFSMM-FYYHNBHTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(C(O)[C@@H](C)C\C(CC)=C\CC/C(CC)=C/C)C(=O)N1C(C)C(OC1=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CCC(C(O)[CH](C)CC(CC)=CCCC(CC)=CC)C(=O)N1C(C)C(OC1=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H]([C@H]([C@@H](C)C/C(=C/CC/C(=C/C)/CC)/CC)O)C(=O)N1C(C(OC1=O)c2ccccc2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C(C(C)CC(=CCCC(=CC)CC)CC)O)C(=O)N1C(C(OC1=O)c2ccccc2)C |
