N-[6-methoxy-5-[[4-methoxy-3-methyl-4-oxidanylidene-3-(4-phenylmethoxyphenyl)butyl]amino]-6-oxidanylidene-hexyl]-methyl-boronamidic acid

Systemtic Name: N-[6-methoxy-5-[[4-methoxy-3-methyl-4-oxidanylidene-3-(4-phenylmethoxyphenyl)butyl]amino]-6-oxidanylidene-hexyl]-methyl-boronamidic acid Openeye Name: N-[5-[[3-(4-benzyloxyphenyl)-4-methoxy-3-methyl-4-oxo-butyl]amino]-6-methoxy-6-oxo-hexyl]-methyl-boronamidic acid CAS Name: N-[6-methoxy-5-[[4-methoxy-3-methyl-4-oxo-3-(4-phenylmethoxyphenyl)butyl]amino]-6-oxohexyl]-methylboronamidic acid IUPAC Name: N-[6-methoxy-5-[[4-methoxy-3-methyl-4-oxo-3-(4-phenylmethoxyphenyl)butyl]amino]-6-oxohexyl]-methylboronamidic acid Traditional Name: N-[5-[[3-(4-benzoxyphenyl)-4-keto-4-methoxy-3-methyl-butyl]amino]-6-keto-6-methoxy-hexyl]-methyl-boronamidic acid Formula: C27H39BN2O6 MolecularWeight: 498.41936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C)(NCCCCC(C(=O)OC)NCCC(C)(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC)O

Isomeric SMILES

B(C)(NCCCCC(C(=O)OC)NCCC(C)(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC)O

InChI

InChI=1S/C27H39BN2O6/c1-27(26(32)35-4,17-19-29-24(25(31)34-3)12-8-9-18-30-28(2)33)22-13-15-23(16-14-22)36-20-21-10-6-5-7-11-21/h5-7,10-11,13-16,24,29-30,33H,8-9,12,17-20H2,1-4H3