PYL

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Summary

Name:PYRROLYSINE
Formula:C12 H21 N3 O3
Formal charge:0
Molecular weight:255.313 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~6~-{[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}-L-lysine
OpenEye OEToolkits1.7.6(2S)-2-azanyl-6-[[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonylamino]hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCCCCC(C(=O)O)N)C1N=CCC1C
InChIInChI1.03InChI=1S/C12H21N3O3/c1-8-5-7-14-10(8)11(16)15-6-3-2-4-9(13)12(17)18/h7-10H,2-6,13H2,1H3,(H,15,16)(H,17,18)/t8-,9+,10-/m1/s1
InChIKeyInChI1.03ZFOMKMMPBOQKMC-KXUCPTDWSA-N
SMILES_CANONICALCACTVS3.385C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H](N)C(O)=O
SMILESCACTVS3.385C[CH]1CC=N[CH]1C(=O)NCCCC[CH](N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.7.6CC1CC=NC1C(=O)NCCCCC(C(=O)O)N
167132
PDB entries from 2020-07-29