SEQ2FUN

BioLiP

PDB CCD ID: T2M
Number of entries in BioLiP: 1
Chemical formula: C7 H13 N3 O2
InChI: InChI=1S/C7H13N3O2/c1-7(2,3)12-6(11)9-10(4)5-8/h1-4H3,(H,9,11)
InChIKey: SWELYBAPJHIOQT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)(C)OC(=O)NN(C)C#N
ACDLabs 10.04O=C(OC(C)(C)C)NN(C#N)C
CACTVS 3.341CN(NC(=O)OC(C)(C)C)C#N
Name:TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE
DrugBank: DB08594
ZINC: ZINC000033821524
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).