BioLiP

PDB

BioLiP

PDB CCD ID:

5FQ

Number of entries in BioLiP:

Chemical formula:

C8 H18 N2 O

InChI:

InChI=1S/C8H18N2O/c1-3-4-5-6-10-8(11)7(2)9/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m0/s1

InChIKey:

XITIWNUYCSVDOK-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCNC(=O)[CH](C)N
ACDLabs 12.01	CCCCCNC(C(C)N)=O
CACTVS 3.385 OpenEye OEToolkits 1.9.2	CCCCCNC(=O)[C@H](C)N
OpenEye OEToolkits 1.9.2	CCCCCNC(=O)C(C)N

Name:

N-pentyl-L-alaninamide

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).