BioLiP

PDB

BioLiP

PDB CCD ID:

RDY

Number of entries in BioLiP:

Chemical formula:

C12 H15 N O4

InChI:

InChI=1S/C12H15NO4/c1-9(11(14)15)13(2)12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)/t9-/m0/s1

InChIKey:

QGEQKVZQPWSOTI-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(C(=O)O)N(C)C(=O)OCc1ccccc1
ACDLabs 12.01	O(Cc1ccccc1)C(=O)N(C(C(O)=O)C)C
CACTVS 3.385	C[C@H](N(C)C(=O)OCc1ccccc1)C(O)=O
OpenEye OEToolkits 2.0.6	C[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1
CACTVS 3.385	C[CH](N(C)C(=O)OCc1ccccc1)C(O)=O

Name:

N-[(benzyloxy)carbonyl]-N-methyl-L-alanine

ZINC:

ZINC000002526285

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).