BioLiP

PDB

BioLiP

PDB CCD ID:

ZIL

Number of entries in BioLiP:

Chemical formula:

C20 H30 N2 O5

InChI:

InChI=1S/C20H30N2O5/c1-5-14(4)17(18(23)21-16(19(24)25)11-13(2)3)22-20(26)27-12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)/t14-,16-,17-/m0/s1

InChIKey:

BSRAGXJNZJMFMY-XIRDDKMYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)CC(C)C
OpenEye OEToolkits 1.9.2	CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)OCc1ccccc1
CACTVS 3.385	CC[CH](C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC(C)C)C(O)=O
OpenEye OEToolkits 1.9.2	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)OCc1ccccc1
CACTVS 3.385	CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O

Name:

N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine;
Z-Ile-Leu

ZINC:

ZINC000004535717

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).