BioLiP

PDB

BioLiP

PDB CCD ID:

JKC

Number of entries in BioLiP:

Chemical formula:

C13 H18 N2 O4

InChI:

InChI=1S/C13H18N2O4/c14-11(12(16)17)7-4-8-15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1

InChIKey:

VULSXQYFUHKBAN-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCCNC(=O)OCc1ccccc1)C(O)=O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)COC(=O)NCCCC(C(=O)O)N
OpenEye OEToolkits 2.0.7	c1ccc(cc1)COC(=O)NCCC[C@@H](C(=O)O)N
CACTVS 3.385	N[C@@H](CCCNC(=O)OCc1ccccc1)C(O)=O

Name:

(2S)-2-azanyl-5-(phenylmethoxycarbonylamino)pentanoic acid

ZINC:

ZINC000002384791

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).