[3-[(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(Z,1R)-5-(3-hydroxyphenyl)-1-oxidanyl-4-pyridin-2-yl-pent-4-enyl]-1,3-bis(oxidanylidene)-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid

Systemtic Name: [3-[(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(Z,1R)-5-(3-hydroxyphenyl)-1-oxidanyl-4-pyridin-2-yl-pent-4-enyl]-1,3-bis(oxidanylidene)-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid Openeye Name: [3-[(3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-(2-pyridyl)pent-4-enyl]-4-(hydroxymethyl)-6-isopropyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid CAS Name: [3-[(3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-(2-pyridinyl)pent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid IUPAC Name: [3-[(3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-pyridin-2-ylpent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid Traditional Name: [3-[(3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-(2-pyridyl)pent-4-enyl]-6-isopropyl-1,3-diketo-4-methylol-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid Formula: C34H37BN2O7 MolecularWeight: 596.47778

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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)C5=CC=CC=N5)O)C(C)C)(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)/C5=CC=CC=N5)O)C(C)C)(O)O

InChI

InChI=1S/C34H37BN2O7/c1-20(2)26-18-27-32(34(42)37(33(27)41)24-9-6-8-23(17-24)35(43)44)28(19-38)31(26)30(40)13-12-22(29-11-3-4-14-36-29)15-21-7-5-10-25(39)16-21/h3-11,14-17,20,27-28,30,32,38-40,43-44H,12-13,18-19H2,1-2H3/b22-15-/t27-,28+,30-,32-/m1/s1