IK3
Summary
| Name: | (2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide |
| Formula: | C14 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 262.304 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H18N2O3/c1-3-8-15-14(19)13(16-10(2)17)9-11-4-6-12(18)7-5-11/h3-7,13,18H,1,8-9H2,2H3,(H,15,19)(H,16,17)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | OVAVZWLRPFXTJT-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC=C |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NCC=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCC=C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC(Cc1ccc(cc1)O)C(=O)NCC=C |
