[3-[(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(1R,4E)-4-[(3-hydroxyphenyl)methylidene]-1-oxidanyl-heptyl]-1,3-bis(oxidanylidene)-6-propyl-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid

Systemtic Name: [3-[(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(1R,4E)-4-[(3-hydroxyphenyl)methylidene]-1-oxidanyl-heptyl]-1,3-bis(oxidanylidene)-6-propyl-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid Openeye Name: [3-[(3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(3-hydroxyphenyl)methylene]heptyl]-4-(hydroxymethyl)-1,3-dioxo-6-propyl-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid CAS Name: [3-[(3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(3-hydroxyphenyl)methylidene]heptyl]-4-(hydroxymethyl)-1,3-dioxo-6-propyl-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid IUPAC Name: [3-[(3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(3-hydroxyphenyl)methylidene]heptyl]-4-(hydroxymethyl)-1,3-dioxo-6-propyl-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid Traditional Name: [3-[(3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-propyl-pent-4-enyl]-1,3-diketo-4-methylol-6-propyl-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid Formula: C32H40BNO7 MolecularWeight: 561.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)N2C(=O)C3CC(=C(C(C3C2=O)CO)C(CCC(=CC4=CC(=CC=C4)O)CCC)O)CCC)(O)O

Isomeric SMILES

B(C1=CC(=CC=C1)N2C(=O)[C@@H]3CC(=C([C@@H]([C@@H]3C2=O)CO)[C@@H](CC/C(=C/C4=CC(=CC=C4)O)/CCC)O)CCC)(O)O

InChI

InChI=1S/C32H40BNO7/c1-3-7-20(15-21-9-5-12-25(36)16-21)13-14-28(37)29-22(8-4-2)17-26-30(27(29)19-35)32(39)34(31(26)38)24-11-6-10-23(18-24)33(40)41/h5-6,9-12,15-16,18,26-28,30,35-37,40-41H,3-4,7-8,13-14,17,19H2,1-2H3/b20-15+/t26-,27+,28-,30-/m1/s1