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671

Summary
Name:1-(4-aminobenzyl)-3-{2-[(2R)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea
Formula:C24 H26 N4 O2
Formal charge:0
Formula weight:402.489 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(4-aminobenzyl)-3-{2-[(2R)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea
OpenEye OEToolkits1.7.61-[(4-aminophenyl)methyl]-3-[2-[(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N3C(c1cccc2c1cccc2)CCC3)CNC(=O)NCc4ccc(N)cc4
InChIInChI1.03InChI=1S/C24H26N4O2/c25-19-12-10-17(11-13-19)15-26-24(30)27-16-23(29)28-14-4-9-22(28)21-8-3-6-18-5-1-2-7-20(18)21/h1-3,5-8,10-13,22H,4,9,14-16,25H2,(H2,26,27,30)/t22-/m1/s1
InChIKeyInChI1.03MRLPPIJHRIIWJS-JOCHJYFZSA-N
SMILES_CANONICALCACTVS3.370Nc1ccc(CNC(=O)NCC(=O)N2CCC[C@@H]2c3cccc4ccccc34)cc1
SMILESCACTVS3.370Nc1ccc(CNC(=O)NCC(=O)N2CCC[CH]2c3cccc4ccccc34)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)cccc2[C@H]3CCCN3C(=O)CNC(=O)NCc4ccc(cc4)N
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)cccc2C3CCCN3C(=O)CNC(=O)NCc4ccc(cc4)N

224931

PDB entries from 2024-09-11

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