PRD_002539
Summary
| Name: | [FIP-HRC]2-PEG11 |
| Formula: | C28 H29 N3 O6 |
| Fomular weight: | 503.546 |
| Component type: | peptide-like |
| Polymer sequences: | P6S, PHE, PHE, GLY |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(benzyloxy)carbonyl]-L-phenylalanyl-L-phenylalanylglycine |
| OpenEye OEToolkits | 2.0.7 | 2-[[(2~{S})-3-phenyl-2-[[(2~{S})-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)CNC(=O)[CH](Cc1ccccc1)NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(C(=O)NCC(=O)O)NC(=O)C(Cc2ccccc2)NC(=O)OCc3ccccc3 |
