DTB
Summary
| Name: | 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID |
| Synonyms: | D-DESTHIOBIOTIN |
| Formula: | C10 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 214.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid |
| OpenEye OEToolkits | 1.7.6 | 6-[(4R,5S)-5-methyl-2-oxidanylidene-imidazolidin-4-yl]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(=O)NC(C(N1)C)CCCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | AUTOLBMXDDTRRT-JGVFFNPUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1NC(=O)N[CH]1CCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(NC(=O)N1)CCCCCC(=O)O |
