(4-nitrophenyl)methyl (3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethyloxy)phenyl]-8-[(4-morpholin-4-ylphenyl)carbamoyl]-5'-[2-(1-oxidanylcycloheptyl)ethynyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethyloxy)phenyl]-8-[(4-morpholin-4-ylphenyl)carbamoyl]-5'-[2-(1-oxidanylcycloheptyl)ethynyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate Openeye Name: (4-nitrophenyl)methyl (3R,4S,6R,7R,8S,8aS)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-8-[(4-morpholinophenyl)carbamoyl]-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)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-8-[[4-(4-morpholinyl)anilino]-oxomethyl]-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 (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (3R,4S,6R,7R,8S,8aS)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-8-[(4-morpholin-4-ylphenyl)carbamoyl]-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)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-diketo-8-[(4-morpholinophenyl)carbamoyl]-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1'-carboxylic acid (4-nitrobenzyl) ester Formula: C62H59N5O12 MolecularWeight: 1066.15816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#CC2=CC3=C(C=C2)N(C(=O)C34C(C5C(=O)OC(C(N5C4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=CC=C(C=C9)N1CCOCC1)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

C1CCCC(CC1)(C#CC2=CC3=C(C=C2)N(C(=O)[C@]34[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)NC9=CC=C(C=C9)N1CCOCC1)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C62H59N5O12/c68-35-38-77-51-18-10-9-17-48(51)56-62(49-39-41(29-32-61(73)30-11-1-2-12-31-61)21-28-50(49)65(59(62)71)60(72)78-40-42-19-24-47(25-20-42)67(74)75)52(57(69)63-45-22-26-46(27-23-45)64-33-36-76-37-34-64)54-58(70)79-55(44-15-7-4-8-16-44)53(66(54)56)43-13-5-3-6-14-43/h3-10,13-28,39,52-56,68,73H,1-2,11-12,30-31,33-38,40H2,(H,63,69)/t52-,53-,54-,55+,56+,62-/m0/s1