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BioLiP

PDB CCD ID: 41H
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O2
InChI: InChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9-/m0/s1
InChIKey: IRZQDMYEJPNDEN-CBAPKCEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@H]([C@H](N)C(O)=O)c1ccccc1
OpenEye OEToolkits 1.7.6CC(c1ccccc1)C(C(=O)O)N
OpenEye OEToolkits 1.7.6C[C@@H](c1ccccc1)[C@@H](C(=O)O)N
ACDLabs 12.01O=C(O)C(N)C(c1ccccc1)C
CACTVS 3.385C[CH]([CH](N)C(O)=O)c1ccccc1
Name:(betaS)-beta-methyl-L-phenylalanine
ZINC: ZINC000000406111
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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