R1V
Summary
| Name: | N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-L-glutamic acid |
| Formula: | C15 H25 N O4 |
| Formal charge: | 0 |
| Formula weight: | 283.363 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-L-glutamic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[[(2~{E})-3,7-dimethylocta-2,6-dienyl]amino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)=[C@H]CCC(C)=[C@H]CNC(C(O)=O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H25NO4/c1-11(2)5-4-6-12(3)9-10-16-13(15(19)20)7-8-14(17)18/h5,9,13,16H,4,6-8,10H2,1-3H3,(H,17,18)(H,19,20)/b12-9+/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | WRAUYKHQSOIVEN-SRXBQZRASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCC/C(C)=C/CN[C@@H](CCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCN[CH](CCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCC/C(=C/CN[C@@H](CCC(=O)O)C(=O)O)/C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=CCNC(CCC(=O)O)C(=O)O)C)C |
