BioLiP

PDB

BioLiP

PDB CCD ID:

B1C

Number of entries in BioLiP:

Chemical formula:

C14 H19 N O5

InChI:

InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1

InChIKey:

CNBUSIJNWNXLQQ-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O
ACDLabs 12.01	O=C(NC(Cc1ccc(cc1)O)C(O)=O)OC(C)(C)C
CACTVS 3.385	CC(C)(C)OC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O
OpenEye OEToolkits 2.0.6	CC(C)(C)OC(=O)NC(Cc1ccc(cc1)O)C(=O)O
CACTVS 3.385	CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

Name:

N-(tert-butoxycarbonyl)-L-tyrosine;
BOC-TYR

ChEMBL:

CHEMBL65386

ZINC:

ZINC000002049222

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).