| PDB CCD ID: | HJW |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H18 Cl N O3 S |
| InChI: | InChI=1S/C17H18ClNO3S/c1-4-22-17(21)12(3)19(16(20)14-9-6-10-23-14)15-11(2)7-5-8-13(15)18/h5-10,12H,4H2,1-3H3/t12-/m0/s1 |
| InChIKey: | XYAGVCFCNDDPMS-LBPRGKRZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CCOC(=O)C(C)N(c1c(cccc1Cl)C)C(=O)c2cccs2 | | CACTVS 3.385 | CCOC(=O)[C@H](C)N(C(=O)c1sccc1)c2c(C)cccc2Cl | | OpenEye OEToolkits 2.0.6 | CCOC(=O)[C@H](C)N(c1c(cccc1Cl)C)C(=O)c2cccs2 | | CACTVS 3.385 | CCOC(=O)[CH](C)N(C(=O)c1sccc1)c2c(C)cccc2Cl |
|
| Name: | ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate |
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