BioLiP

PDB

BioLiP

PDB CCD ID:

SN0

Number of entries in BioLiP:

Chemical formula:

C9 H15 N O5

InChI:

InChI=1S/C9H15NO5/c1-2-3-6(9(14)15)10-7(11)4-5-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1

InChIKey:

HRAPDLBXHOBAKA-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCC[C@H](NC(=O)CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	CCCC(C(=O)O)NC(=O)CCC(=O)O
OpenEye OEToolkits 1.5.0	CCC[C@@H](C(=O)O)NC(=O)CCC(=O)O
ACDLabs 10.04	O=C(NC(C(=O)O)CCC)CCC(=O)O
CACTVS 3.341	CCC[CH](NC(=O)CCC(O)=O)C(O)=O

Name:

N-(3-CARBOXYPROPANOYL)-L-NORVALINE

DrugBank:

DB08554

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).