QVN
Summary
| Name: | 3-(3-phenylpropyl)-2-oxoglutarate |
| Synonyms: | (4~{S})-2-oxidanylidene-4-(3-phenylpropyl)pentanedioic acid |
| Formula: | C14 H16 O5 |
| Formal charge: | 0 |
| Formula weight: | 264.274 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-2-oxidanylidene-4-(3-phenylpropyl)pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H16O5/c15-12(14(18)19)9-11(13(16)17)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,16,17)(H,18,19)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | JBXWROHAFLSAHP-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H](CCCc1ccccc1)CC(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)[CH](CCCc1ccccc1)CC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCC[C@@H](CC(=O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCC(CC(=O)C(=O)O)C(=O)O |
