A1I70
Summary
| Name: | (2~{S})-2-[[(~{E})-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid |
| Formula: | C19 H19 N O5 |
| Formal charge: | 0 |
| Formula weight: | 341.358 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[[(~{E})-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H19NO5/c1-25-17-12-14(7-9-16(17)21)8-10-18(22)20-15(19(23)24)11-13-5-3-2-4-6-13/h2-10,12,15,21H,11H2,1H3,(H,20,22)(H,23,24)/b10-8+/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | LGXSIEAJQHZERP-HQPKTYMTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(O)=O)ccc1O |
| SMILES | CACTVS | 3.385 | COc1cc(C=CC(=O)N[CH](Cc2ccccc2)C(O)=O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)C=CC(=O)NC(Cc2ccccc2)C(=O)O |
