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BioLiP

PDB CCD ID: MNV
Number of entries in BioLiP: 0
Chemical formula: C6 H14 N2 O
InChI: InChI=1S/C6H14N2O/c1-4(2)5(8-3)6(7)9/h4-5,8H,1-3H3,(H2,7,9)/t5-/m0/s1
InChIKey: DACXAEBOHWZDAM-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)[C@@H](C(=O)N)NC
CACTVS 3.341CN[C@@H](C(C)C)C(N)=O
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)N)NC
CACTVS 3.341CN[CH](C(C)C)C(N)=O
ACDLabs 10.04O=C(N)C(NC)C(C)C
Name:N-METHYL-C-AMINO VALINE
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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