PRD_002227
Summary
| Name: | |
| Formula: | C13 H20 N6 O4 |
| Fomular weight: | 324.336 |
| Component type: | peptide-like |
| Polymer sequences: | 7YL, GLY, RGL |
| 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})-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H20N6O4/c14-13(15)16-5-1-2-8(7-20)18-11(22)6-17-12(23)9-3-4-10(21)19-9/h3-4,7-9H,1-2,5-6H2,(H,17,23)(H,18,22)(H,19,21)(H4,14,15,16)/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.06 | WUOPPCVXHFRAOP-DTWKUNHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCCC[C@H](NC(=O)CNC(=O)[C@@H]1NC(=O)C=C1)C=O |
| SMILES | CACTVS | 3.385 | NC(=N)NCCC[CH](NC(=O)CNC(=O)[CH]1NC(=O)C=C1)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)CNC(=O)[C@H]1C=CC(=O)N1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CC(=O)NC1C(=O)NCC(=O)NC(CCCNC(=N)N)C=O |
