PRD_002248
Summary
| Name: | (4S,7R,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione |
| Formula: | C23 H43 N3 O5 |
| Fomular weight: | 441.605 |
| Component type: | peptide-like |
| Polymer sequences: | 7C2, LEU, GAU |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | single molecule |
| Program | Version | Name |
| ACDLabs | 12.01 | (4S,7R,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione |
| OpenEye OEToolkits | 2.0.6 | (4~{S},7~{S},17~{R})-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCCCC1CCCCCNC(CCC(NC(C(NC(O1)=O)CC(C)C)=O)CO)=O |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@@H]1CCCCCNC(=O)CC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)O1 |
| SMILES | CACTVS | 3.385 | CCCCC[CH]1CCCCCNC(=O)CC[CH](CO)NC(=O)[CH](CC(C)C)NC(=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCC[C@@H]1CCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)O1)CC(C)C)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCC1CCCCCNC(=O)CCC(NC(=O)C(NC(=O)O1)CC(C)C)CO |
