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SummaryGeometryRelated PDB entries

RVY

Summary
Name:(5S)-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione
Formula:C14 H14 N4 O2
Formal charge:0
Formula weight:270.287 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5S)-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione
OpenEye OEToolkits2.0.6(5~{S})-5-methyl-5-[(1-phenyl-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2(c1ccccc1)cc(nn2)CC3(C(CC(N3)=O)=O)C
InChIInChI1.03InChI=1S/C14H14N4O2/c1-14(12(19)7-13(20)15-14)8-10-9-18(17-16-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,20)/t14-/m0/s1
InChIKeyInChI1.03JRHLMUQJOCQPQH-AWEZNQCLSA-N
SMILES_CANONICALCACTVS3.385C[C@@]1(Cc2cn(nn2)c3ccccc3)NC(=O)CC1=O
SMILESCACTVS3.385C[C]1(Cc2cn(nn2)c3ccccc3)NC(=O)CC1=O
SMILES_CANONICALOpenEye OEToolkits2.0.6C[C@@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccccc3
SMILESOpenEye OEToolkits2.0.6CC1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccccc3

219140

PDB entries from 2024-05-01

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