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BioLiP

PDB CCD ID: DZE
Number of entries in BioLiP: 4
Chemical formula: C11 H19 N O5
InChI: InChI=1S/C11H19NO5/c1-7(13)8(6-9(14)16-5)12-10(15)17-11(2,3)4/h8H,6H2,1-5H3,(H,12,15)/t8-/m0/s1
InChIKey: QKEQESWFLCEUCV-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)=O
OpenEye OEToolkits 1.5.0CC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C
CACTVS 3.341COC(=O)C[CH](NC(=O)OC(C)(C)C)C(C)=O
OpenEye OEToolkits 1.5.0CC(=O)C(CC(=O)OC)NC(=O)OC(C)(C)C
ACDLabs 10.04O=C(OC(C)(C)C)NC(C(=O)C)CC(=O)OC
Name:methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate
DrugBank: DB07696
ZINC: ZINC000039275102
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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