BioLiP

PDB

BioLiP

PDB CCD ID:

L0S

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCN(CC)C(=NP(=O)(C)OC)C
OpenEye OEToolkits 2.0.7	CCN(CC)/C(=N/[P@@](=O)(C)OC)/C
CACTVS 3.385	CCN(CC)C(C)=N[P](C)(=O)OC
ACDLabs 12.01	COP(/N=C(/N(CC)CC)C)(=O)C
CACTVS 3.385	CCN(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, Lydia 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).