H8R
Summary
| Name: | (2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid |
| Formula: | C20 H31 N O4 |
| Formal charge: | 0 |
| Formula weight: | 349.464 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-14-25-17-12-10-16(11-13-17)19(22)21-18(15(2)3)20(23)24/h10-13,15,18H,4-9,14H2,1-3H3,(H,21,22)(H,23,24)/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | JIIPBCFIUGBDHZ-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCOc1ccc(cc1)C(=O)N[CH](C(C)C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCCOc1ccc(cc1)C(=O)NC(C(C)C)C(=O)O |
