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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

ProgramVersionName
OpenEye OEToolkits3.1.0.0~{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

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.385CCCCCCCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C=O
SMILESCACTVS3.385CCCCCCCC(=O)NCC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c[nH+]2)C=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CCCCCCCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C=O
SMILESOpenEye OEToolkits3.1.0.0CCCCCCCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2c[nH]c[nH+]2)C=O

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PDB entries from 2024-06-12

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