PRD_002411
Summary
| Name: | peptide BOC-GLY-PHE-HIS-H |
| Formula: | C22 H30 N5 O5 |
| Fomular weight: | 444.504 |
| Component type: | peptide-like |
| Polymer sequences: | BOC, GLY, PHE, HSV |
| Non-polymer components: | |
| BIRD class: | Enzyme inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ~{tert}-butyl ~{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]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H29N5O5/c1-22(2,3)32-21(31)24-12-19(29)27-18(9-15-7-5-4-6-8-15)20(30)26-17(13-28)10-16-11-23-14-25-16/h4-8,11,13-14,17-18H,9-10,12H2,1-3H3,(H,23,25)(H,24,31)(H,26,30)(H,27,29)/p+1/t17-,18-/m0/s1 |
| InChIKey | InChI | 1.06 | SYSFJLSWEUVDHF-ROUUACIJSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)NCC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c[nH+]2)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=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 | CC(C)(C)OC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2c[nH]c[nH+]2)C=O |
