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  3. HIT212718658
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HIT212718658
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HIT212718658
  • HIT ID:HIT212718658
  • Cas No:
  • 常用名:VYN00459
  • 别名:VYN-00459, VYN 00459, NH2-Glu(OBu-t)-Val-Cit, NH2-Glu(OBu)-Val-Cit, Glutamic acid-Valine-Citruline
    别名:VYN-00459, VYN 00459, NH2-Glu(OBu-t)-Val-Cit, NH2-Glu(OBu)-Val-Cit, Glutamic acid-Valine-Citruline
  • IUPAC:(2S)-2-[(2S)-2-[(2S)-2-amino-5-(tert-butoxy)-5-oxopentanamido]-3-methylbutanamido]-5-(carbamoylamino)pentanoic acid
    IUPAC:(2S)-2-[(2S)-2-[(2S)-2-amino-5-(tert-butoxy)-5-oxopentanamido]-3-methylbutanamido]-5-(carbamoylamino)pentanoic acid
  • InChI key:VDCAZQLFKJYFMD-YDHLFZDLSA-N
  • 分子式:C20H37N5O7
  • 分子量:459.544
  • 氢键供体数 (HBD):6
  • 氢键受体数 (HBA):7
  • LogP:-3.273386
  • SMILES:CC(C)[C@H](NC(=O)[C@@H](N)CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=O)C(O)=O
    SMILES:CC(C)[C@H](NC(=O)[C@@H](N)CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=O)C(O)=O
  • VYN00459, also known as NH2-Glu(OBu-t)-Val-Cit, is a tripeptide linker, which is enzymatic cleavable. VYN00459 has sequence of Glutamic acid-Valine-Citruline with glutamic acid side chain protected with t-butyl ester. VYN00459 has no formal name, its name was generated by using its inchi key and the molecule weight. Also see Hodoodo Chemical Nomenclature (https://hodoodo.com/hodoodo-chemical-nomenclature/).
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