PRD_002229
Summary
| Name: | |
| Formula: | C19 H28 N8 O6 |
| Fomular weight: | 464.476 |
| Component type: | peptide-like |
| Polymer sequences: | 7YO, GLY, ARG, NIT |
| Non-polymer components: | |
| BIRD class: | Enzyme inhibitor |
| Represented as: | single molecule |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-~{N}-[2-[[(2~{S})-1-[[4-[bis(oxidanyl)amino]phenyl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCCC[C@H](NC(=O)CNC(=O)[C@H]1CCC(=O)N1)C(=O)Nc2ccc(cc2)N(O)O |
| SMILES | CACTVS | 3.385 | NC(=N)NCCC[CH](NC(=O)CNC(=O)[CH]1CCC(=O)N1)C(=O)Nc2ccc(cc2)N(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/N)\NCCC[C@@H](C(=O)Nc1ccc(cc1)N(O)O)NC(=O)CNC(=O)[C@H]2CCC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C2CCC(=O)N2)N(O)O |
