[3-[(4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoranyl-4-oxidanyl-phenyl)methylidene]hexyl]-2-oxidanyl-7,9-bis(oxidanylidene)-5-propyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindol-8-yl]phenyl]boronic acid

Systemtic Name: [3-[(4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoranyl-4-oxidanyl-phenyl)methylidene]hexyl]-2-oxidanyl-7,9-bis(oxidanylidene)-5-propyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindol-8-yl]phenyl]boronic acid Openeye Name: [3-[(4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoro-4-hydroxy-phenyl)methylene]hexyl]-2-hydroxy-7,9-dioxo-5-propyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindol-8-yl]phenyl]boronic acid CAS Name: [3-[(4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]hexyl]-2-hydroxy-7,9-dioxo-5-propyl-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindol-8-yl]phenyl]boronic acid IUPAC Name: [3-[(4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]hexyl]-2-hydroxy-7,9-dioxo-5-propyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindol-8-yl]phenyl]boronic acid Traditional Name: [3-[(4R,6aR,9aS,9bR)-4-[(E)-4-(3-fluoro-4-hydroxy-phenyl)-3-propyl-but-3-enyl]-2-hydroxy-7,9-diketo-5-propyl-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindol-8-yl]phenyl]boronic acid Formula: C32H38B2FNO7 MolecularWeight: 589.267023

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=CC(=C(C=C4)O)F)CCC)CCC)C(=O)N(C3=O)C5=CC=CC(=C5)B(O)O)O

Isomeric SMILES

B1(C[C@@H]2[C@H]3[C@@H](CC(=C2[C@H](O1)CC/C(=C/C4=CC(=C(C=C4)O)F)/CCC)CCC)C(=O)N(C3=O)C5=CC=CC(=C5)B(O)O)O

InChI

InChI=1S/C32H38B2FNO7/c1-3-6-19(14-20-10-12-27(37)26(35)15-20)11-13-28-29-21(7-4-2)16-24-30(25(29)18-33(40)43-28)32(39)36(31(24)38)23-9-5-8-22(17-23)34(41)42/h5,8-10,12,14-15,17,24-25,28,30,37,40-42H,3-4,6-7,11,13,16,18H2,1-2H3/b19-14+/t24-,25+,28-,30-/m1/s1