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BioLiP

PDB CCD ID: L1M
Number of entries in BioLiP: 4
Chemical formula: C8 H19 N2 O2 P
InChI: InChI=1S/C8H19N2O2P/c1-5-10(6-2)8(4)9-13(11)12-7-3/h13H,5-7H2,1-4H3/b9-8+
InChIKey: OJNAFPOCQGTUIK-CMDGGOBGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCO[PH](=O)N=C(C)N(CC)CC
ACDLabs 12.01C(C)N(/C(C)=N/P(OCC)=O)CC
OpenEye OEToolkits 2.0.7CCN(CC)C(=NP(=O)OCC)C
OpenEye OEToolkits 2.0.7CCN(CC)/C(=N/[P@H](=O)OCC)/C
CACTVS 3.385CCO[P@@H](=O)N=C(C)N(CC)CC
Name:ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate
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)(download the PDF file).
  • 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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