(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(Z,1R)-5-[5-(hydroxymethyl)furan-2-yl]-1-oxidanyl-4-pyridin-2-yl-pent-4-enyl]-6-methyl-2-(4-phenylazanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(Z,1R)-5-[5-(hydroxymethyl)furan-2-yl]-1-oxidanyl-4-pyridin-2-yl-pent-4-enyl]-6-methyl-2-(4-phenylazanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(Z,1R)-1-hydroxy-5-[5-(hydroxymethyl)-2-furyl]-4-(2-pyridyl)pent-4-enyl]-4-(hydroxymethyl)-6-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(Z,1R)-1-hydroxy-5-[5-(hydroxymethyl)-2-furanyl]-4-(2-pyridinyl)pent-4-enyl]-4-(hydroxymethyl)-6-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(Z,1R)-1-hydroxy-5-[5-(hydroxymethyl)furan-2-yl]-4-pyridin-2-ylpent-4-enyl]-4-(hydroxymethyl)-6-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(Z,1R)-1-hydroxy-5-(5-methylol-2-furyl)-4-(2-pyridyl)pent-4-enyl]-6-methyl-4-methylol-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C37H37N3O6 MolecularWeight: 619.70618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)NC4=CC=CC=C4)CO)C(CCC(=CC5=CC=C(O5)CO)C6=CC=CC=N6)O

Isomeric SMILES

CC1=C([C@@H]([C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)NC4=CC=CC=C4)CO)[C@@H](CC/C(=C/C5=CC=C(O5)CO)/C6=CC=CC=N6)O

InChI

InChI=1S/C37H37N3O6/c1-23-19-30-35(37(45)40(36(30)44)27-13-11-26(12-14-27)39-25-7-3-2-4-8-25)31(22-42)34(23)33(43)17-10-24(32-9-5-6-18-38-32)20-28-15-16-29(21-41)46-28/h2-9,11-16,18,20,30-31,33,35,39,41-43H,10,17,19,21-22H2,1H3/b24-20-/t30-,31+,33-,35-/m1/s1