| PDB CCD ID: | WQL |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H22 N2 O4 |
| InChI: | InChI=1S/C18H22N2O4/c1-5-10-18(12(2)3)15(21)19-17(23)20(16(18)22)11-13-6-8-14(24-4)9-7-13/h5-9,12H,1,10-11H2,2-4H3,(H,19,21,23)/t18-/m0/s1 |
| InChIKey: | UHJJEIBRDLPXDT-SFHVURJKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(C)C1(C(=O)NC(=O)N(C1=O)Cc2ccc(cc2)OC)CC=C | | OpenEye OEToolkits 2.0.7 | CC(C)[C@]1(C(=O)NC(=O)N(C1=O)Cc2ccc(cc2)OC)CC=C | | CACTVS 3.385 | COc1ccc(CN2C(=O)NC(=O)[C](CC=C)(C(C)C)C2=O)cc1 | | CACTVS 3.385 | COc1ccc(CN2C(=O)NC(=O)[C@](CC=C)(C(C)C)C2=O)cc1 | | ACDLabs 12.01 | CC(C)C1(CC=C)C(=O)N(Cc2ccc(OC)cc2)C(=O)NC1=O |
|
| Name: | (5S)-1-[(4-methoxyphenyl)methyl]-5-(propan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione |
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