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14A

Summary
Name:N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE
Formula:C19 H27 Cl N4 O3
Formal charge:0
Formula weight:394.896 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-[3-(carbamimidamidooxy)propoxy]-5-chloro-N-cyclopentyl-N-prop-2-en-1-ylbenzamide
OpenEye OEToolkits1.5.03-(3-carbamimidamidooxypropoxy)-5-chloro-N-cyclopentyl-N-prop-2-enyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N(C\C=C)C1CCCC1)c2cc(OCCCONC(=[N@H])N)cc(Cl)c2
SMILES_CANONICALCACTVS3.341NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CC=C)C2CCCC2
SMILESCACTVS3.341NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CC=C)C2CCCC2
SMILES_CANONICALOpenEye OEToolkits1.5.0C=CCN(C1CCCC1)C(=O)c2cc(cc(c2)Cl)OCCCONC(=N)N
SMILESOpenEye OEToolkits1.5.0C=CCN(C1CCCC1)C(=O)c2cc(cc(c2)Cl)OCCCONC(=N)N
InChIInChI1.03InChI=1S/C19H27ClN4O3/c1-2-8-24(16-6-3-4-7-16)18(25)14-11-15(20)13-17(12-14)26-9-5-10-27-23-19(21)22/h2,11-13,16H,1,3-10H2,(H4,21,22,23)
InChIKeyInChI1.03XWIUMAPBZWNFNV-UHFFFAOYSA-N

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PDB entries from 2024-05-08

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