2QE
Summary
| Name: | (2S,4R)-4-(3-Methoxy-3-oxopropyl) glutamic acid |
| Synonyms: | (4R)-4-(3-methoxy-3-oxopropyl)-L-glutamic acid |
| Formula: | C9 H15 N O6 |
| Formal charge: | 0 |
| Formula weight: | 233.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-4-(3-methoxy-3-oxopropyl)-L-glutamic acid |
| OpenEye OEToolkits | 1.7.6 | (2S,4R)-2-azanyl-4-(3-methoxy-3-oxidanylidene-propyl)pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)CCC(C(=O)O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H15NO6/c1-16-7(11)3-2-5(8(12)13)4-6(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,12,13)(H,14,15)/t5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | IPTIKQIFOOZKAT-RITPCOANSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)CC[CH](C[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COC(=O)CCC(CC(C(=O)O)N)C(=O)O |
