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3-[2-(dihydroxyboranyl)-2-(pentanoylamino)ethyl]-2-oxidanyl-benzoic acid

3-[2-(dihydroxyboranyl)-2-(pentanoylamino)ethyl]-2-oxidanyl-benzoic acid

Systemtic Name:3-[2-(dihydroxyboranyl)-2-(pentanoylamino)ethyl]-2-oxidanyl-benzoic acid
Openeye Name:3-[2-borono-2-(pentanoylamino)ethyl]-2-hydroxy-benzoic acid
CAS Name:3-[2-borono-2-(1-oxopentylamino)ethyl]-2-hydroxybenzoic acid
IUPAC Name:3-[2-borono-2-(pentanoylamino)ethyl]-2-hydroxybenzoic acid
Traditional Name:3-[2-borono-2-(valerylamino)ethyl]-2-hydroxy-benzoic acid
Formula: C14H20BNO6
MolecularWeight: 309.1227
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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)CCCC)(O)O


Isomeric SMILES

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)CCCC)(O)O


InChI

InChI=1S/C14H20BNO6/c1-2-3-7-12(17)16-11(15(21)22)8-9-5-4-6-10(13(9)18)14(19)20/h4-6,11,18,21-22H,2-3,7-8H2,1H3,(H,16,17)(H,19,20)


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