PRD_002237
Summary
| Name: | |
| Formula: | C38 H57 N5 O7 S |
| Fomular weight: | 727.953 |
| Component type: | peptide-like |
| Polymer sequences: | APP, DIL, 55N, BB9, 55P |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | single molecule |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (2~{R},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-4-methyl-3-[methyl-[(2~{R},3~{R})-3-methyl-2-[[(2~{S})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-2-methyl-5-phenyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c2scc(n2)C(=O)N[C@H](C[C@@H](C)C(O)=O)Cc3ccccc3)C(C)C |
| SMILES | CACTVS | 3.385 | CC[CH](C)[CH](NC(=O)[CH]1CCCCN1C)C(=O)N(C)[CH](C[CH](OC(C)=O)c2scc(n2)C(=O)N[CH](C[CH](C)C(O)=O)Cc3ccccc3)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC[C@@H](C)[C@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@@H]3CCCCN3C |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCC(C)C(C(=O)N(C)C(CC(c1nc(cs1)C(=O)NC(Cc2ccccc2)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C |
