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CHEBI:157671 - AN11736

ChEBI IDCHEBI:157671
ChEBI NameAN11736
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FormulaC21H23BFNO5
Net Charge0
Average Mass399.227
Monoisotopic Mass399.16533
SMILESCc1c(C(=O)N[C@H](C(=O)OCc2ccc(F)cc2)C(C)C)ccc2c1B(O)OC2
InChIInChI=1S/C21H23BFNO5/c1-12(2)19(21(26)28-10-14-4-7-16(23)8-5-14)24-20(25)17-9-6-15-11-29-22(27)18(15)13(17)3/h4-9,12,19,27H,10-11H2,1-3H3,(H,24,25)/t19-/m0/s1
InChIKeyAUDHLQWLNVOGDC-IBGZPJMESA-N
ChEBI Ontology
Outgoing Relation(s)
AN11736 (CHEBI:157671) is a L-valine derivative (CHEBI:84129)
AN11736 (CHEBI:157671) is a organoboron compound (CHEBI:38278)
AN11736 (CHEBI:157671) is a organofluorine compound (CHEBI:37143)
IUPAC Names 
4-fluorobenzyl (1-hydroxy-7-methyl-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-L-valinate
(4-fluorophenyl)methyl (2S)-2-[(1-hydroxy-7-methyl-3H-2,1-benzoxaborole-6-carbonyl)amino]-3-methylbutanoate