(3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethyloxy)phenyl]-5'-[2-(1-oxidanylcycloheptyl)ethynyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-N1'-[(1R)-1-phenylethyl]-N8-prop-2-enyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1',8-dicarboxamide

Systemtic Name: (3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethyloxy)phenyl]-5'-[2-(1-oxidanylcycloheptyl)ethynyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-N1'-[(1R)-1-phenylethyl]-N8-prop-2-enyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1',8-dicarboxamide Openeye Name: (3R,4S,6R,7R,8S,8aS)-N8-allyl-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-N1'-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1',8-dicarboxamide CAS Name: (3R,4S,6R,7R,8S,8aS)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-N1'-[(1R)-1-phenylethyl]-N8-prop-2-enylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1',8-dicarboxamide IUPAC Name: (3R,4S,6R,7R,8S,8aS)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-1-N'-[(1R)-1-phenylethyl]-8-N-prop-2-enylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1',8-dicarboxamide Traditional Name: (3R,4S,6R,7R,8S,8aS)-N'-allyl-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-diketo-3,4-diphenyl-N-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1',8-dicarboxamide Formula: C56H56N4O8 MolecularWeight: 913.06584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CC4(CCCCCC4)O)C5(C2=O)C(C6C(=O)OC(C(N6C5C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)NCC=C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CC4(CCCCCC4)O)[C@]5(C2=O)[C@@H]([C@H]6C(=O)O[C@@H]([C@@H](N6[C@@H]5C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)NCC=C

InChI

InChI=1S/C56H56N4O8/c1-3-33-57-51(62)46-48-52(63)68-49(41-23-13-8-14-24-41)47(40-21-11-7-12-22-40)60(48)50(42-25-15-16-26-45(42)67-35-34-61)56(46)43-36-38(29-32-55(66)30-17-4-5-18-31-55)27-28-44(43)59(53(56)64)54(65)58-37(2)39-19-9-6-10-20-39/h3,6-16,19-28,36-37,46-50,61,66H,1,4-5,17-18,30-31,33-35H2,2H3,(H,57,62)(H,58,65)/t37-,46+,47+,48+,49-,50-,56+/m1/s1