BioLiP

PDB

BioLiP

PDB CCD ID:

UBU

Number of entries in BioLiP:

Chemical formula:

C17 H28 N3 O5 P

InChI:

InChI=1S/C17H28N3O5P/c1-4-18-16(21)15(10-13(2)3)20-26(23,24)12-19-17(22)25-11-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,18,21)(H,19,22)(H2,20,23,24)/t15-/m0/s1

InChIKey:

AYDYEZVQGYFZKJ-HNNXBMFYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	CCNC(=O)C(CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O
CACTVS 3.370	CCNC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1
ACDLabs 12.01	O=C(NCC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
OpenEye OEToolkits 1.7.2	CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O
CACTVS 3.370	CCNC(=O)[C@H](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1

Name:

N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-ethyl-L-leucinamide

ChEMBL:

CHEMBL2219861

ZINC:

ZINC000095553314

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).