BioLiP

PDB

BioLiP

PDB CCD ID:

9V0

Number of entries in BioLiP:

Chemical formula:

C14 H19 N5 O4

InChI:

InChI=1S/C14H19N5O4/c15-11(13(20)21)6-3-4-8-17-14(22)23-9-10-5-1-2-7-12(10)18-19-16/h1-2,5,7,11H,3-4,6,8-9,15H2,(H,17,22)(H,20,21)/t11-/m0/s1

InChIKey:

PGNICAOCNIVZRV-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](CCCCNC(=O)OCc1ccccc1N=[N+]=[N-])C(O)=O
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)N=[N+]=[N-]
CACTVS 3.385	N[CH](CCCCNC(=O)OCc1ccccc1N=[N+]=[N-])C(O)=O
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)COC(=O)NCCCCC(C(=O)O)N)N=[N+]=[N-]

Name:

(2S)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid

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).