CHEBI:157671 - AN11736

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name AN11736
ChEBI ID CHEBI:157671
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C21H23BFNO5
Net Charge 0
Average Mass 399.230
Monoisotopic Mass 399.16533
InChI InChI=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
InChIKey AUDHLQWLNVOGDC-IBGZPJMESA-N
SMILES FC1=CC=C(COC(=O)[C@@H](NC(=O)C2=C(C3=C(COB3O)C=C2)C)C(C)C)C=C1
ChEBI Ontology
Outgoing 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-fluorophenyl)methyl (2S)-2-[(1-hydroxy-7-methyl-3H-2,1-benzoxaborole-6-carbonyl)amino]-3-methylbutanoate
4-fluorobenzyl (1-hydroxy-7-methyl-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-L-valinate