(3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethyloxy)phenyl]-5'-[2-(4-methoxyphenyl)ethynyl]-1,2'-bis(oxidanylidene)-N8-[(2R)-2-oxidanyl-2-phenyl-ethyl]-3,4-diphenyl-N1'-[(1R)-1-phenylethyl]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-[4-(2-hydroxyethyloxy)phenyl]-5'-[2-(4-methoxyphenyl)ethynyl]-1,2'-bis(oxidanylidene)-N8-[(2R)-2-oxidanyl-2-phenyl-ethyl]-3,4-diphenyl-N1'-[(1R)-1-phenylethyl]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)-6-[4-(2-hydroxyethoxy)phenyl]-N8-[(2R)-2-hydroxy-2-phenyl-ethyl]-5'-[2-(4-methoxyphenyl)ethynyl]-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)-6-[4-(2-hydroxyethoxy)phenyl]-N8-[(2R)-2-hydroxy-2-phenylethyl]-5'-[2-(4-methoxyphenyl)ethynyl]-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'-indole]-1',8-dicarboxamide IUPAC Name: (3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethoxy)phenyl]-8-N-[(2R)-2-hydroxy-2-phenylethyl]-5'-[2-(4-methoxyphenyl)ethynyl]-1,2'-dioxo-3,4-diphenyl-1-N'-[(1R)-1-phenylethyl]spiro[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)-6-[4-(2-hydroxyethoxy)phenyl]-N'-[(2R)-2-hydroxy-2-phenyl-ethyl]-1,2'-diketo-5'-[2-(4-methoxyphenyl)ethynyl]-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: C61H54N4O9 MolecularWeight: 987.10286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CC4=CC=C(C=C4)OC)C5(C2=O)C(C6C(=O)OC(C(N6C5C7=CC=C(C=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)NCC(C1=CC=CC=C1)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CC4=CC=C(C=C4)OC)[C@]5(C2=O)[C@@H]([C@H]6C(=O)O[C@@H]([C@@H](N6[C@@H]5C7=CC=C(C=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)NC[C@@H](C1=CC=CC=C1)O

InChI

InChI=1S/C61H54N4O9/c1-39(42-15-7-3-8-16-42)63-60(71)64-50-34-27-41(24-23-40-25-30-47(72-2)31-26-40)37-49(50)61(59(64)70)52(57(68)62-38-51(67)43-17-9-4-10-18-43)54-58(69)74-55(45-21-13-6-14-22-45)53(44-19-11-5-12-20-44)65(54)56(61)46-28-32-48(33-29-46)73-36-35-66/h3-22,25-34,37,39,51-56,66-67H,35-36,38H2,1-2H3,(H,62,68)(H,63,71)/t39-,51+,52+,53+,54+,55-,56-,61+/m1/s1