2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethyloxy)phenyl]-5'-[2-(4-methoxyphenyl)ethynyl]-1,2'-bis(oxidanylidene)-8-[[(2R)-2-oxidanyl-2-phenyl-ethyl]carbamoyl]-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate

Systemtic Name: 2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethyloxy)phenyl]-5'-[2-(4-methoxyphenyl)ethynyl]-1,2'-bis(oxidanylidene)-8-[[(2R)-2-oxidanyl-2-phenyl-ethyl]carbamoyl]-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate Openeye Name: 2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethoxy)phenyl]-8-[[(2R)-2-hydroxy-2-phenyl-ethyl]carbamoyl]-5'-[2-(4-methoxyphenyl)ethynyl]-1,2'-dioxo-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1'-carboxylate CAS Name: (3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethoxy)phenyl]-8-[[[(2R)-2-hydroxy-2-phenylethyl]amino]-oxomethyl]-5'-[2-(4-methoxyphenyl)ethynyl]-1,2'-dioxo-3,4-diphenyl-1'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethoxy)phenyl]-8-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]-5'-[2-(4-methoxyphenyl)ethynyl]-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate Traditional Name: (3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethoxy)phenyl]-8-[[(2R)-2-hydroxy-2-phenyl-ethyl]carbamoyl]-1,2'-diketo-5'-[2-(4-methoxyphenyl)ethynyl]-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1'-carboxylic acid 2-methoxyethyl ester Formula: C56H51N3O11 MolecularWeight: 942.01764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)N1C2=C(C=C(C=C2)C#CC3=CC=C(C=C3)OC)C4(C1=O)C(C5C(=O)OC(C(N5C4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NCC(C9=CC=CC=C9)O

Isomeric SMILES

COCCOC(=O)N1C2=C(C=C(C=C2)C#CC3=CC=C(C=C3)OC)[C@]4(C1=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC[C@@H](C9=CC=CC=C9)O

InChI

InChI=1S/C56H51N3O11/c1-66-32-33-69-55(65)58-44-29-26-37(23-22-36-24-27-41(67-2)28-25-36)34-43(44)56(54(58)64)47(52(62)57-35-45(61)38-14-6-3-7-15-38)49-53(63)70-50(40-18-10-5-11-19-40)48(39-16-8-4-9-17-39)59(49)51(56)42-20-12-13-21-46(42)68-31-30-60/h3-21,24-29,34,45,47-51,60-61H,30-33,35H2,1-2H3,(H,57,62)/t45-,47-,48-,49-,50+,51+,56-/m0/s1