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BioLiP

PDB CCD ID: L0S
Number of entries in BioLiP: 6
Chemical formula: C8 H19 N2 O2 P
InChI: InChI=1S/C8H19N2O2P/c1-6-10(7-2)8(3)9-13(5,11)12-4/h6-7H2,1-5H3/b9-8+/t13-/m1/s1
InChIKey: YYUQHVXOVGFZEM-MMQHEFTJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCN(CC)C(=NP(=O)(C)OC)C
OpenEye OEToolkits 2.0.7CCN(CC)/C(=N/[P@@](=O)(C)OC)/C
CACTVS 3.385CCN(CC)C(C)=N[P](C)(=O)OC
ACDLabs 12.01COP(/N=C(/N(CC)CC)C)(=O)C
CACTVS 3.385CCN(CC)C(C)=N[P@](C)(=O)OC
Name:methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate;
A-232
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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