PRD_002208
Summary
| Name: | |
| Formula: | C43 H66 N6 O8 |
| Fomular weight: | 795.02 |
| Component type: | peptide-like |
| Polymer sequences: | 5R0, PHE, ALA, LEU, ELY, 5R5 |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | methyl (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[(4-~{tert}-butylphenyl)carbonylamino]-3-phenyl-propanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-6-(diethylamino)hexanoyl]amino]-3-oxidanyl-propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(cc2)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |
| SMILES | CACTVS | 3.385 | CCN(CC)CCCC[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](C)NC(=O)[CH](Cc1ccccc1)NC(=O)c2ccc(cc2)C(C)(C)C)C(=O)N[CH](CO)C(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCN(CC)CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)OC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(cc2)C(C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCN(CC)CCCCC(C(=O)NC(CO)C(=O)OC)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)c2ccc(cc2)C(C)(C)C |
