PDB CCD ID: | M2C |
Number of entries in BioLiP: | 1 |
Chemical formula: | C10 H16 N2 O2 S |
InChI: | InChI=1S/C10H16N2O2S/c1-15-7-5-8(11)10(13,14)9-4-2-3-6-12-9/h2-4,6,8,13-14H,5,7,11H2,1H3/t8-/m0/s1 |
InChIKey: | JPZQHIBHGCCNKS-QMMMGPOBSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | CSCC[C@@H](C(c1ccccn1)(O)O)N | CACTVS 3.341 | CSCC[C@H](N)C(O)(O)c1ccccn1 | OpenEye OEToolkits 1.5.0 | CSCCC(C(c1ccccn1)(O)O)N | ACDLabs 10.04 | OC(O)(c1ncccc1)C(N)CCSC | CACTVS 3.341 | CSCC[CH](N)C(O)(O)c1ccccn1 |
|
Name: | (2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-DIOL |
DrugBank: | DB01882 |
ZINC: | ZINC000005929297 |