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BioLiP Library

PDB CCD ID: BXT
Number of entries in BioLiP: 0
Chemical formula: C7 H14 N2 O4
InChI: InChI=1S/C7H14N2O4/c1-3-9(2)7(12)13-4-5(8)6(10)11/h5H,3-4,8H2,1-2H3,(H,10,11)/t5-/m0/s1
InChIKey: UYBASDIYBHKZCX-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCN(C)C(=O)OC[C@@H](C(=O)O)N
CACTVS 3.385CCN(C)C(=O)OC[CH](N)C(O)=O
CACTVS 3.385CCN(C)C(=O)OC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6CCN(C)C(=O)OCC(C(=O)O)N
Name:(2~{S})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid
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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