N-[6-(dioctadecylamino)-5-(methylamino)-6-oxidanylidene-hexyl]-methyl-boronamidic acid

Systemtic Name: N-[6-(dioctadecylamino)-5-(methylamino)-6-oxidanylidene-hexyl]-methyl-boronamidic acid Openeye Name: N-[6-(dioctadecylamino)-5-(methylamino)-6-oxo-hexyl]-methyl-boronamidic acid CAS Name: N-[6-(dioctadecylamino)-5-(methylamino)-6-oxohexyl]-methylboronamidic acid IUPAC Name: N-[6-(dioctadecylamino)-5-(methylamino)-6-oxohexyl]-methylboronamidic acid Traditional Name: N-[6-(distearylamino)-6-keto-5-(methylamino)hexyl]-methyl-boronamidic acid Formula: C44H92BN3O2 MolecularWeight: 706.03118

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(NCCCCC(C(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)NC)O

Isomeric SMILES

B(C)(NCCCCC(C(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)NC)O

InChI

InChI=1S/C44H92BN3O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-41-48(44(49)43(46-4)39-35-36-40-47-45(3)50)42-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h43,46-47,50H,5-42H2,1-4H3