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PRD_000334

Summary
Name:BENZYLOXYCARBONYL-GLYCYL-PHENYLALANYL-METHYLENYLGLYCYL DERIVATIVE
Formula:C22 H24 Cl N3 O5
Fomular weight:445.896
Component type:peptide-like
Polymer sequences:PHQ, GLY, PHE, GLY, 0QE
Non-polymer components:
BIRD class:Inhibitor
Represented as:polymer
Families:FAM_000202

ProgramVersionName
ACDLabs12.01N-[(benzyloxy)carbonyl]glycyl-N-(3-chloro-2-oxopropyl)-L-phenylalaninamide
OpenEye OEToolkits1.7.6(phenylmethyl) N-[2-[[(2S)-1-[(3-chloranyl-2-oxidanylidene-propyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01ClCC(=O)CNC(=O)C(NC(=O)CNC(=O)OCc1ccccc1)Cc2ccccc2
InChIInChI1.03InChI=1S/C22H24ClN3O5/c23-12-18(27)13-24-21(29)19(11-16-7-3-1-4-8-16)26-20(28)14-25-22(30)31-15-17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H,24,29)(H,25,30)(H,26,28)
InChIKeyInChI1.03HXVSUVCIQJYIIX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370ClCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OCc2ccccc2
SMILESCACTVS3.370ClCC(=O)CNC(=O)[CH](Cc1ccccc1)NC(=O)CNC(=O)OCc2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)C[C@@H](C(=O)NCC(=O)CCl)NC(=O)CNC(=O)OCc2ccccc2
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)CC(C(=O)NCC(=O)CCl)NC(=O)CNC(=O)OCc2ccccc2

221371

PDB entries from 2024-06-19

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