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

Systemtic Name: 6-[(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(Z,1R)-5-[5-(hydroxymethyl)furan-2-yl]-1-oxidanyl-4-pyridin-2-yl-pent-4-enyl]-1,3-bis(oxidanylidene)-6-(phenoxymethyl)-3a,4,7,7a-tetrahydroisoindol-2-yl]hexanoic acid Openeye Name: 6-[(3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-[5-(hydroxymethyl)-2-furyl]-4-(2-pyridyl)pent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-6-(phenoxymethyl)-3a,4,7,7a-tetrahydroisoindol-2-yl]hexanoic acid CAS Name: 6-[(3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-[5-(hydroxymethyl)-2-furanyl]-4-(2-pyridinyl)pent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-6-(phenoxymethyl)-3a,4,7,7a-tetrahydroisoindol-2-yl]hexanoic acid IUPAC Name: 6-[(3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-[5-(hydroxymethyl)furan-2-yl]-4-pyridin-2-ylpent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-6-(phenoxymethyl)-3a,4,7,7a-tetrahydroisoindol-2-yl]hexanoic acid Traditional Name: 6-[(3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(5-methylol-2-furyl)-4-(2-pyridyl)pent-4-enyl]-1,3-diketo-4-methylol-6-(phenoxymethyl)-3a,4,7,7a-tetrahydroisoindol-2-yl]hexanoic acid Formula: C37H42N2O9 MolecularWeight: 658.73738

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C(=C1COC3=CC=CC=C3)C(CCC(=CC4=CC=C(O4)CO)C5=CC=CC=N5)O)CO)C(=O)N(C2=O)CCCCCC(=O)O

Isomeric SMILES

C1[C@@H]2[C@H]([C@H](C(=C1COC3=CC=CC=C3)[C@@H](CC/C(=C/C4=CC=C(O4)CO)/C5=CC=CC=N5)O)CO)C(=O)N(C2=O)CCCCCC(=O)O

InChI

InChI=1S/C37H42N2O9/c40-21-28-15-14-27(48-28)19-24(31-11-6-7-17-38-31)13-16-32(42)34-25(23-47-26-9-3-1-4-10-26)20-29-35(30(34)22-41)37(46)39(36(29)45)18-8-2-5-12-33(43)44/h1,3-4,6-7,9-11,14-15,17,19,29-30,32,35,40-42H,2,5,8,12-13,16,18,20-23H2,(H,43,44)/b24-19-/t29-,30+,32-,35-/m1/s1