HA0
Summary
| Name: | HETEROARYLALANINE 5-PHENYL OXAZOLE |
| Formula: | C24 H30 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 442.505 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-[(1-{[(1R)-1-carboxy-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]carbamoyl}cyclopentyl)methyl]pentanoic acid |
| OpenEye OEToolkits | 1.6.1 | (2R)-2-[[1-[[(2R)-1-hydroxy-1-oxo-3-(5-phenyl-1,3-oxazol-2-yl)propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(CCC)CC3(C(=O)NC(C(=O)O)Cc1ncc(o1)c2ccccc2)CCCC3 |
| SMILES_CANONICAL | CACTVS | 3.352 | CCC[C@H](CC1(CCCC1)C(=O)N[C@H](Cc2oc(cn2)c3ccccc3)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.352 | CCC[CH](CC1(CCCC1)C(=O)N[CH](Cc2oc(cn2)c3ccccc3)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CCC[C@H](CC1(CCCC1)C(=O)N[C@H](Cc2ncc(o2)c3ccccc3)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CCCC(CC1(CCCC1)C(=O)NC(Cc2ncc(o2)c3ccccc3)C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C24H30N2O6/c1-2-8-17(21(27)28)14-24(11-6-7-12-24)23(31)26-18(22(29)30)13-20-25-15-19(32-20)16-9-4-3-5-10-16/h3-5,9-10,15,17-18H,2,6-8,11-14H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t17-,18-/m1/s1 |
| InChIKey | InChI | 1.03 | SFZJKCPBOHKUKC-QZTJIDSGSA-N |
