| PDB CCD ID: | Z50 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C16 H22 N4 O2 S2 |
| InChI: | InChI=1S/C16H22N4O2S2/c1-12-9-20(19-18-12)15-7-13(10-23-4-2-16(21)22)6-14(8-15)11-24-5-3-17/h6-9H,2-5,10-11,17H2,1H3,(H,21,22) |
| InChIKey: | PPTSONMLFVJRDH-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | Cc1cn(nn1)c2cc(cc(c2)CSCCN)CSCCC(=O)O | | CACTVS 3.385 | Cc1cn(nn1)c2cc(CSCCN)cc(CSCCC(O)=O)c2 |
|
| Name: | 3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}-5-(4-methyl-1H-1,2,3-triazol-1-yl)phenyl)methyl]sulfanyl}propanoic acid;
3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid |
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