PDB CCD ID: | M3C |
Number of entries in BioLiP: | 1 |
Chemical formula: | C8 H14 N2 O2 S2 |
InChI: | InChI=1S/C8H14N2O2S2/c1-13-4-2-6(9)8(11,12)7-10-3-5-14-7/h3,5-6,11-12H,2,4,9H2,1H3/t6-/m0/s1 |
InChIKey: | NPPGNJAWTLSRQG-LURJTMIESA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | CSCC[CH](N)C(O)(O)c1sccn1 | OpenEye OEToolkits 1.5.0 | CSCC[C@@H](C(c1nccs1)(O)O)N | OpenEye OEToolkits 1.5.0 | CSCCC(C(c1nccs1)(O)O)N | CACTVS 3.341 | CSCC[C@H](N)C(O)(O)c1sccn1 | ACDLabs 10.04 | OC(O)(c1nccs1)C(N)CCSC |
|
Name: | (2S)-2-AMINO-4-(METHYLSULFANYL)-1-(1,3-THIAZOL-2-YL)BUTANE-1,1-DIOL |
DrugBank: | DB08160 |
ZINC: | ZINC000015894748 |