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BioLiP

PDB CCD ID: 47R
Number of entries in BioLiP: 1
Chemical formula: C6 H14 N2
InChI: InChI=1S/C6H14N2/c1-4-8(5-2)6(3)7/h7H,4-5H2,1-3H3/b7-6-
InChIKey: RXSIKRLQGANXCL-SREVYHEPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCN(CC)C(=N)C
OpenEye OEToolkits 1.9.2[H]/N=C(/C)\N(CC)CC
CACTVS 3.385CCN(CC)C(C)=N
ACDLabs 12.01[N@H]=C(N(CC)CC)C
Name:(1Z)-N,N-diethylethanimidamide
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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