9I0
Summary
| Name: | (2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid |
| Synonyms: | Mitiglinide |
| Formula: | C19 H25 N O3 |
| Formal charge: | 0 |
| Formula weight: | 315.407 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-4-[(3~{a}~{R},7~{a}~{S})-1,3,3~{a},4,5,6,7,7~{a}-octahydroisoindol-2-yl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)/t15-,16+,17-/m0/s1 |
| InChIKey | InChI | 1.03 | WPGGHFDDFPHPOB-BBWFWOEESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H](CC(=O)N1C[C@@H]2CCCC[C@@H]2C1)Cc3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH](CC(=O)N1C[CH]2CCCC[CH]2C1)Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@@H](CC(=O)N2C[C@H]3CCCC[C@H]3C2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(CC(=O)N2CC3CCCCC3C2)C(=O)O |
