A1IME
Summary
| Name: | (2~{R})-2-azanyl-3-[(7-methylthieno[3,2-b]pyridin-2-yl)carbonylamino]propanoic acid |
| Formula: | C12 H13 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 279.315 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-[(7-methylthieno[3,2-b]pyridin-2-yl)carbonylamino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H13N3O3S/c1-6-2-3-14-8-4-9(19-10(6)8)11(16)15-5-7(13)12(17)18/h2-4,7H,5,13H2,1H3,(H,15,16)(H,17,18)/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | QRAZNSMFVGTRFM-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccnc2cc(sc12)C(=O)NC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccnc2c1sc(c2)C(=O)NC[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccnc2c1sc(c2)C(=O)NCC(C(=O)O)N |
