N-[5-azanyl-6-(octadecylamino)-6-oxidanylidene-hexyl]-methyl-boronamidic acid

Systemtic Name: N-[5-azanyl-6-(octadecylamino)-6-oxidanylidene-hexyl]-methyl-boronamidic acid Openeye Name: N-[5-amino-6-(octadecylamino)-6-oxo-hexyl]-methyl-boronamidic acid CAS Name: N-[5-amino-6-(octadecylamino)-6-oxohexyl]-methylboronamidic acid IUPAC Name: N-[5-amino-6-(octadecylamino)-6-oxohexyl]-methylboronamidic acid Traditional Name: N-[5-amino-6-keto-6-(stearylamino)hexyl]-methyl-boronamidic acid Formula: C25H54BN3O2 MolecularWeight: 439.52616

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(NCCCCC(C(=O)NCCCCCCCCCCCCCCCCCC)N)O

Isomeric SMILES

B(C)(NCCCCC(C(=O)NCCCCCCCCCCCCCCCCCC)N)O

InChI

InChI=1S/C25H54BN3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-28-25(30)24(27)21-18-20-23-29-26(2)31/h24,29,31H,3-23,27H2,1-2H3,(H,28,30)