| PDB CCD ID: | WMB |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H21 N3 O5 S |
| InChI: | InChI=1S/C20H21N3O5S/c24-17(13-9-27-8-7-11(13)20(25)26)22-19-15(12-3-1-2-4-14(12)29-19)18-21-16(23-28-18)10-5-6-10/h10H,1-9H2,(H,22,24)(H,25,26) |
| InChIKey: | LYHCQWUDTPXZGL-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(O)C=1CCOCC=1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1 | | OpenEye OEToolkits 2.0.7 | C1CCc2c(c(c(s2)NC(=O)C3=C(CCOC3)C(=O)O)c4nc(no4)C5CC5)C1 | | CACTVS 3.385 | OC(=O)C1=C(COCC1)C(=O)Nc2sc3CCCCc3c2c4onc(n4)C5CC5 |
|
| Name: | 5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid |
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