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BioLiP

PDB CCD ID: YW0
Number of entries in BioLiP: 4
Chemical formula: C20 H27 N3 O4
InChI: InChI=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)
InChIKey: DVKLBCMFIZWEBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COC(=O)NN(C=O)c1ccc(cc1)NC(=O)CCCCCCCCC#C
CACTVS 3.385COC(=O)NN(C=O)c1ccc(NC(=O)CCCCCCCCC#C)cc1
ACDLabs 12.01C#CCCCCCCCCC(=O)Nc1ccc(cc1)N(NC(=O)OC)C=O
Name:methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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