| PDB CCD ID: | LMV |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C24 H28 Cl2 N2 O4 S |
| InChI: | InChI=1S/C24H28Cl2N2O4S/c1-15(2)14-33(30,31)27-24(29)17-6-9-22-21(10-17)28(12-16-4-3-5-16)13-23(32-22)19-8-7-18(25)11-20(19)26/h6-11,15-16,23H,3-5,12-14H2,1-2H3,(H,27,29)/t23-/m1/s1 |
| InChIKey: | UHSJMFUMFQAOOO-HSZRJFAPSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(C)CS(=O)(=O)NC(=O)c1ccc2c(c1)N(CC(O2)c3ccc(cc3Cl)Cl)CC4CCC4 | | CACTVS 3.385 | CC(C)C[S](=O)(=O)NC(=O)c1ccc2O[CH](CN(CC3CCC3)c2c1)c4ccc(Cl)cc4Cl | | OpenEye OEToolkits 2.0.7 | CC(C)CS(=O)(=O)NC(=O)c1ccc2c(c1)N(C[C@@H](O2)c3ccc(cc3Cl)Cl)CC4CCC4 | | CACTVS 3.385 | CC(C)C[S](=O)(=O)NC(=O)c1ccc2O[C@H](CN(CC3CCC3)c2c1)c4ccc(Cl)cc4Cl |
|
| Name: | (2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide |
umich.edu