C3H
Summary
| Name: | 2-[[(2~{R})-2-azanyl-3-[(3~{S})-3-methyl-1-oxidanyl-hexan-3-yl]sulfanyl-propanoyl]amino]ethanoic acid |
| Formula: | C12 H24 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 292.395 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[[(2~{R})-2-azanyl-3-[(3~{S})-3-methyl-1-oxidanyl-hexan-3-yl]sulfanyl-propanoyl]amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H24N2O4S/c1-3-4-12(2,5-6-15)19-8-9(13)11(18)14-7-10(16)17/h9,15H,3-8,13H2,1-2H3,(H,14,18)(H,16,17)/t9-,12-/m0/s1 |
| InChIKey | InChI | 1.03 | FIKNGFBNGIHRJV-CABZTGNLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@@](C)(CCO)SC[C@H](N)C(=O)NCC(O)=O |
| SMILES | CACTVS | 3.385 | CCC[C](C)(CCO)SC[CH](N)C(=O)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC[C@@](C)(CCO)SC[C@@H](C(=O)NCC(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCC(C)(CCO)SCC(C(=O)NCC(=O)O)N |
