TQG
Summary
| Name: | N-[(3-carboxyphenoxy)acetyl]-L-glutamic acid |
| Formula: | C14 H15 N O8 |
| Formal charge: | 0 |
| Formula weight: | 325.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3-carboxyphenoxy)acetyl]-L-glutamic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[2-(3-carboxyphenoxy)ethanoylamino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCC(C(O)=O)NC(COc1cccc(c1)C(O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H15NO8/c16-11(15-10(14(21)22)4-5-12(17)18)7-23-9-3-1-2-8(6-9)13(19)20/h1-3,6,10H,4-5,7H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | ZYEJDCAIACBLPZ-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CC[C@H](NC(=O)COc1cccc(c1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CC[CH](NC(=O)COc1cccc(c1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O |
