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56Y

Summary
Name:4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide
Formula:C19 H23 N3 O3
Formal charge:0
Formula weight:341.404 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide
OpenEye OEToolkits1.9.2N-[(3-aminocarbonylphenyl)methyl]-4-ethanoyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCc1c(C(C)=O)c(C)nc1C(=O)N(Cc2cccc(C(=O)N)c2)C
InChIInChI1.03InChI=1S/C19H23N3O3/c1-5-15-16(12(3)23)11(2)21-17(15)19(25)22(4)10-13-7-6-8-14(9-13)18(20)24/h6-9,21H,5,10H2,1-4H3,(H2,20,24)
InChIKeyInChI1.03FETDKYPMSNKFSJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCc1c([nH]c(C)c1C(C)=O)C(=O)N(C)Cc2cccc(c2)C(N)=O
SMILESCACTVS3.385CCc1c([nH]c(C)c1C(C)=O)C(=O)N(C)Cc2cccc(c2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2CCc1c(c([nH]c1C(=O)N(C)Cc2cccc(c2)C(=O)N)C)C(=O)C
SMILESOpenEye OEToolkits1.9.2CCc1c(c([nH]c1C(=O)N(C)Cc2cccc(c2)C(=O)N)C)C(=O)C

227344

PDB entries from 2024-11-13

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