6-[3-[4-(dihydroxyboranyl)phenyl]propanoylamino]hexanoic acid

Systemtic Name: 6-[3-[4-(dihydroxyboranyl)phenyl]propanoylamino]hexanoic acid Openeye Name: 6-[3-(4-boronophenyl)propanoylamino]hexanoic acid CAS Name: 6-[[3-(4-boronophenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-[3-(4-boronophenyl)propanoylamino]hexanoic acid Traditional Name: 6-[3-(4-boronophenyl)propanoylamino]hexanoic acid Formula: C15H22BNO5 MolecularWeight: 307.14988

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)CCC(=O)NCCCCCC(=O)O)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)CCC(=O)NCCCCCC(=O)O)(O)O

InChI

InChI=1S/C15H22BNO5/c18-14(17-11-3-1-2-4-15(19)20)10-7-12-5-8-13(9-6-12)16(21)22/h5-6,8-9,21-22H,1-4,7,10-11H2,(H,17,18)(H,19,20)