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PRD_000691

Summary
Name:N-[(benzyloxy)carbonyl]glycyl-L-proline
Formula:C15 H18 N2 O5
Formal charge:0
Fomular weight:306.314
Component type:peptide-like
Polymer sequences:PHQ, GLY, PRO
Non-polymer components:
BIRD class:Inhibitor
Represented as:single molecule

ProgramVersionName
ACDLabs12.01N-[(benzyloxy)carbonyl]glycyl-L-proline
OpenEye OEToolkits1.7.0(2S)-1-[2-(phenylmethoxycarbonylamino)ethanoyl]pyrrolidine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1C(C(=O)O)CCC1)CNC(=O)OCc2ccccc2
SMILES_CANONICALCACTVS3.370OC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc2ccccc2
SMILESCACTVS3.370OC(=O)[CH]1CCCN1C(=O)CNC(=O)OCc2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O)O
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)COC(=O)NCC(=O)N2CCCC2C(=O)O
InChIInChI1.03InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1
InChIKeyInChI1.03ZTUKZKYDJMGJDC-LBPRGKRZSA-N

222036

PDB entries from 2024-07-03

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