M2C
Summary
| Name: | (2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-DIOL |
| Formula: | C10 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 228.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-4-(methylsulfanyl)-1-pyridin-2-ylbutane-1,1-diol |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-methylsulfanyl-1-pyridin-2-yl-butane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC(O)(c1ncccc1)C(N)CCSC |
| SMILES_CANONICAL | CACTVS | 3.341 | CSCC[C@H](N)C(O)(O)c1ccccn1 |
| SMILES | CACTVS | 3.341 | CSCC[CH](N)C(O)(O)c1ccccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CSCC[C@@H](C(c1ccccn1)(O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CSCCC(C(c1ccccn1)(O)O)N |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | JPZQHIBHGCCNKS-QMMMGPOBSA-N |
