QMH
Summary
| Name: | (2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid |
| Formula: | C18 H27 N O4 |
| Formal charge: | 0 |
| Formula weight: | 321.411 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H27NO4/c1-4-5-6-7-12-23-15-10-8-14(9-11-15)17(20)19-16(13(2)3)18(21)22/h8-11,13,16H,4-7,12H2,1-3H3,(H,19,20)(H,21,22)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | ICRSRJPPVADSGE-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCOc1ccc(cc1)C(=O)N[CH](C(C)C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCOc1ccc(cc1)C(=O)NC(C(C)C)C(=O)O |
