BioLiP

PDB

BioLiP

PDB CCD ID:

L1M

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	CCO[PH](=O)N=C(C)N(CC)CC
ACDLabs 12.01	C(C)N(/C(C)=N/P(OCC)=O)CC
OpenEye OEToolkits 2.0.7	CCN(CC)C(=NP(=O)OCC)C
OpenEye OEToolkits 2.0.7	CCN(CC)/C(=N/[P@H](=O)OCC)/C
CACTVS 3.385	CCO[P@@H](=O)N=C(C)N(CC)CC

Name:

ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate

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).