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YW0

Summary
Name:methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
Formula:C20 H27 N3 O4
Formal charge:0
Formula weight:373.446 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
OpenEye OEToolkits2.0.7methyl ~{N}-[methanoyl-[4-(undec-10-ynoylamino)phenyl]amino]carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C#CCCCCCCCCC(=O)Nc1ccc(cc1)N(NC(=O)OC)C=O
InChIInChI1.06InChI=1S/C20H27N3O4/c1-3-4-5-6-7-8-9-10-11-19(25)21-17-12-14-18(15-13-17)23(16-24)22-20(26)27-2/h1,12-16H,4-11H2,2H3,(H,21,25)(H,22,26)
InChIKeyInChI1.06DVKLBCMFIZWEBE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)NN(C=O)c1ccc(NC(=O)CCCCCCCCC#C)cc1
SMILESCACTVS3.385COC(=O)NN(C=O)c1ccc(NC(=O)CCCCCCCCC#C)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7COC(=O)NN(C=O)c1ccc(cc1)NC(=O)CCCCCCCCC#C
SMILESOpenEye OEToolkits2.0.7COC(=O)NN(C=O)c1ccc(cc1)NC(=O)CCCCCCCCC#C

224931

PDB entries from 2024-09-11

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