27U

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Summary

Name:N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide
Formula:C22 H26 N4 O2
Formal charge:0
Molecular weight:378.467 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide
OpenEye OEToolkits1.7.0(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CCc2ccccc2)CCC3
SMILES_CANONICALCACTVS3.370NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CCc3ccccc3)cc1
SMILESCACTVS3.370NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)CCc3ccccc3)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.0[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCc3ccccc3)\N
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)CCC(=O)N2CCCC2C(=O)NCc3ccc(cc3)C(=N)N
InChIInChI1.03InChI=1S/C22H26N4O2/c23-21(24)18-11-8-17(9-12-18)15-25-22(28)19-7-4-14-26(19)20(27)13-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,19H,4,7,10,13-15H2,(H3,23,24)(H,25,28)/t19-/m0/s1
InChIKeyInChI1.03RNZKCCPFUWHBFY-IBGZPJMESA-N
167518
PDB entries from 2020-08-12