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BioLiP

PDB CCD ID: 0NC
Number of entries in BioLiP: 0
Chemical formula: C4 H10 N2 O
InChI: InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m0/s1
InChIKey: CKQYFZPCICOPMQ-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)NC)N
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)NC)N
CACTVS 3.341CNC(=O)[CH](C)N
CACTVS 3.341CNC(=O)[C@H](C)N
ACDLabs 10.04O=C(NC)C(N)C
Name:N-methyl-L-alaninamide
ZINC: ZINC000002560941
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).
  • 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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