BioLiP

PDB

BioLiP

PDB CCD ID:

CLG

Number of entries in BioLiP:

Chemical formula:

C10 H20 N4 O5

InChI:

InChI=1S/C10H20N4O5/c11-7(10(17)18)3-1-2-4-13-8(15)5-14-9(16)6-19-12/h7H,1-6,11-12H2,(H,13,15)(H,14,16)(H,17,18)/t7-/m0/s1

InChIKey:

SXRKCWXXAJCBMM-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NOCC(=O)NCC(=O)NCCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0	C(CCNC(=O)CNC(=O)CON)C[C@@H](C(=O)O)N
CACTVS 3.341	NOCC(=O)NCC(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0	C(CCNC(=O)CNC(=O)CON)CC(C(=O)O)N
ACDLabs 10.04	O=C(NCCCCC(C(=O)O)N)CNC(=O)CON

Name:

2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-ACETYLAMINO]-HEXANOIC ACID

ZINC:

ZINC000058631936

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).