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F1Q

Summary
Name:ethyl 2-[[(4-aminophenyl)methyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate
Formula:C14 H19 N7 O3
Formal charge:0
Formula weight:333.346 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6ethyl 2-[[(4-aminophenyl)methyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H19N7O3/c1-2-24-13(22)7-16-14(23)21(9-12-17-19-20-18-12)8-10-3-5-11(15)6-4-10/h3-6H,2,7-9,15H2,1H3,(H,16,23)(H,17,18,19,20)
InChIKeyInChI1.03MIBVKXZGDPDKCH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)CNC(=O)N(Cc1[nH]nnn1)Cc2ccc(N)cc2
SMILESCACTVS3.385CCOC(=O)CNC(=O)N(Cc1[nH]nnn1)Cc2ccc(N)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.6CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2[nH]nnn2
SMILESOpenEye OEToolkits2.0.6CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2[nH]nnn2

217705

PDB entries from 2024-03-27

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