| PDB CCD ID: | YAJ |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C16 H21 N3 O4 |
| InChI: | InChI=1S/C16H21N3O4/c1-19-7-11(6-12(19)8-20)17-15(21)5-10-2-3-14-13(4-10)18-16(22)9-23-14/h2-4,11-12,20H,5-9H2,1H3,(H,17,21)(H,18,22)/t11-,12+/m1/s1 |
| InChIKey: | GLBAXWCHBKFKRM-NEPJUHHUSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1C[CH](C[CH]1CO)NC(=O)Cc2ccc3OCC(=O)Nc3c2 | | CACTVS 3.385 | CN1C[C@@H](C[C@H]1CO)NC(=O)Cc2ccc3OCC(=O)Nc3c2 | | OpenEye OEToolkits 2.0.7 | CN1CC(CC1CO)NC(=O)Cc2ccc3c(c2)NC(=O)CO3 | | OpenEye OEToolkits 2.0.7 | CN1C[C@@H](C[C@H]1CO)NC(=O)Cc2ccc3c(c2)NC(=O)CO3 |
|
| Name: | ~{N}-[(3~{R},5~{S})-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-2-(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)ethanamide |
| ZINC: | ZINC000065381241 |
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