PRD_002412
Summary
| Name: | peptide OCA-GLY-PHE-HIS-H |
| Formula: | C25 H36 N5 O4 |
| Fomular weight: | 470.584 |
| Component type: | peptide-like |
| Polymer sequences: | OCA, GLY, PHE, HSV |
| Non-polymer components: | |
| BIRD class: | Enzyme inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[2-[[(2~{S})-1-[[(2~{S})-1-(1~{H}-imidazol-3-ium-4-yl)-3-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]octanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H35N5O4/c1-2-3-4-5-9-12-23(32)27-16-24(33)30-22(13-19-10-7-6-8-11-19)25(34)29-21(17-31)14-20-15-26-18-28-20/h6-8,10-11,15,17-18,21-22H,2-5,9,12-14,16H2,1H3,(H,26,28)(H,27,32)(H,29,34)(H,30,33)/p+1/t21-,22-/m0/s1 |
| InChIKey | InChI | 1.06 | QOQJVJROCYJTFE-VXKWHMMOSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C=O |
| SMILES | CACTVS | 3.385 | CCCCCCCC(=O)NCC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c[nH+]2)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2c[nH]c[nH+]2)C=O |
