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 |
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 | 3.1.0.0 | 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 | 3.1.0.0 | CC(C)(C)OC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2c[nH]c[nH+]2)C=O |