PRD_002577
Summary
| Name: | AF23 peptide |
| Formula: | C26 H33 F3 N8 O6 |
| Fomular weight: | 610.585 |
| Component type: | peptide-like |
| Polymer sequences: | A1CH8, NIY, PHE, NH2 |
| Non-polymer components: | |
| BIRD class: | Unknown |
| Represented as: | polymer |
| Program | Version | Name |
| ACDLabs | 14.52 | N~5~-[N-(2,2,2-trifluoroethyl)carbamimidoyl]-L-ornithyl-3-nitro-L-tyrosyl-L-phenylalaninamide |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-2-azanyl-~{N}-[(2~{S})-1-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(3-nitro-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]-5-[[~{N}-[2,2,2-tris(fluoranyl)ethyl]carbamimidoyl]amino]pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=[N+]([O-])c1cc(ccc1O)CC(NC(=O)C(N)CCCNC(=N)NCC(F)(F)F)C(=O)NC(Cc1ccccc1)C(N)=O |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCNC(=N)NCC(F)(F)F)C(=O)N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCNC(=N)NCC(F)(F)F)C(=O)N[CH](Cc1ccc(O)c(c1)[N+]([O-])=O)C(=O)N[CH](Cc2ccccc2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)C[C@@H](C(=O)N)NC(=O)[C@H](Cc2ccc(c(c2)[N+](=O)[O-])O)NC(=O)[C@H](CCCNC(=N)NCC(F)(F)F)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)CC(C(=O)N)NC(=O)C(Cc2ccc(c(c2)[N+](=O)[O-])O)NC(=O)C(CCCNC(=N)NCC(F)(F)F)N |
