R8L
Summary
| Name: | (E)-3-[2-[(2R,3S)-3-[(1R)-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid |
| Formula: | C15 H17 N O5 |
| Formal charge: | 0 |
| Formula weight: | 291.299 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-3-[2-[(2~{R},3~{S})-3-[(1~{R})-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H17NO5/c1-2-11(20-15(16)19)14-13(21-14)10-6-4-3-5-9(10)7-8-12(17)18/h3-8,11,13-14H,2H2,1H3,(H2,16,19)(H,17,18)/b8-7+/t11-,13-,14+/m1/s1 |
| InChIKey | InChI | 1.06 | APIHDLCQFHISLU-PQPVHHHVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](OC(N)=O)[C@@H]1O[C@@H]1c2ccccc2\C=C\C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](OC(N)=O)[CH]1O[CH]1c2ccccc2C=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H]([C@H]1[C@H](O1)c2ccccc2/C=C/C(=O)O)OC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C1C(O1)c2ccccc2C=CC(=O)O)OC(=O)N |
