SNR
Summary
| Name: | NORBIOTIN |
| Synonyms: | 4-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-BUTYRIC ACID |
| Formula: | C9 H14 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 230.284 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]butanoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC2C(SCC2N1)CCCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |
| SMILES | CACTVS | 3.341 | OC(=O)CCC[CH]1SC[CH]2NC(=O)N[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C2C(C(S1)CCCC(=O)O)NC(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C9H14N2O3S/c12-7(13)3-1-2-6-8-5(4-15-6)10-9(14)11-8/h5-6,8H,1-4H2,(H,12,13)(H2,10,11,14)/t5-,6-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | AINAXQHKYSZESH-HAFWLYHUSA-N |
