BSO
Summary
| Name: | BIOTIN-D-SULFOXIDE |
| Synonyms: | 5-[(3AR,4R,6AS)-5-OXIDO-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID |
| Formula: | C10 H16 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 260.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-[(3aS,4S,5S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid |
| OpenEye OEToolkits | 1.5.0 | 5-[(3aS,4S,5S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S2CC1NC(=O)NC1C2CCCCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2C[S@]1=O |
| SMILES | CACTVS | 3.341 | OC(=O)CCCC[CH]1[CH]2NC(=O)N[CH]2C[S]1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C2C(C(S1=O)CCCCC(=O)O)NC(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17-/m0/s1 |
| InChIKey | InChI | 1.03 | KCSKCIQYNAOBNQ-OKPRWBIXSA-N |
