BioLiP

PDB

BioLiP

PDB CCD ID:

A1C3V

Number of entries in BioLiP:

Chemical formula:

C14 H19 N O4

InChI:

InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1

InChIKey:

ZYJPUMXJBDHSIF-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O
CACTVS 3.385	CC(C)(C)OC(=O)N[CH](Cc1ccccc1)C(O)=O
ACDLabs 14.52	O=C(O)C(NC(=O)OC(C)(C)C)Cc1ccccc1
OpenEye OEToolkits 3.1.0.0	CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)O
CACTVS 3.385	CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(O)=O

Name:

N-(tert-butoxycarbonyl)-L-phenylalanine

ChEMBL:

CHEMBL1222330

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).