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PRD_000692

Summary
Name:N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL
Synonyms:Z-PRO-PROLINAL
Formula:C18 H22 N2 O4
Formal charge:0
Fomular weight:330.378
Component type:PEPTIDE-LIKE
Polymer sequences:PHQ, PRO, PRI
Non-polymer components:
BIRD class:Inhibitor
Represented as:single molecule

ProgramVersionName
ACDLabs10.04benzyl (2S)-2-{[(2S)-2-formylpyrrolidin-1-yl]carbonyl}pyrrolidine-1-carboxylate
OpenEye OEToolkits1.5.0phenylmethyl (2S)-2-[(2S)-2-methanoylpyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N1C(C=O)CCC1)C3N(C(=O)OCc2ccccc2)CCC3
SMILES_CANONICALCACTVS3.341O=C[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3
SMILESCACTVS3.341O=C[CH]1CCCN1C(=O)[CH]2CCCN2C(=O)OCc3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)COC(=O)N2CCCC2C(=O)N3CCCC3C=O
InChIInChI1.03InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
InChIKeyInChI1.03ORZXYSPOAVJYRU-HOTGVXAUSA-N

218500

PDB entries from 2024-04-17

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