(4-nitrophenyl)methyl (3R,4S,6R,7R,8S,8aS)-8-(azocan-1-ylcarbonyl)-6-[2-(2-hydroxyethyloxy)phenyl]-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)-8-(azocan-1-ylcarbonyl)-6-[2-(2-hydroxyethyloxy)phenyl]-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)-8-(azocane-1-carbonyl)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-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)-8-[1-azocanyl(oxo)methyl]-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-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)-8-(azocane-1-carbonyl)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-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)-8-(azocane-1-carbonyl)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-diketo-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: C59H60N4O11 MolecularWeight: 1001.1279

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2C3C(=O)OC(C(N3C(C24C5=C(C=CC(=C5)C#CC6(CCCCCC6)O)N(C4=O)C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8OCCO)C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

C1CCCN(CCC1)C(=O)[C@@H]2[C@H]3C(=O)O[C@@H]([C@@H](N3[C@@H]([C@]24C5=C(C=CC(=C5)C#CC6(CCCCCC6)O)N(C4=O)C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8OCCO)C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C59H60N4O11/c64-36-37-72-48-23-13-12-22-45(48)53-59(49(54(65)60-34-16-4-1-5-17-35-60)51-55(66)74-52(43-20-10-7-11-21-43)50(62(51)53)42-18-8-6-9-19-42)46-38-40(30-33-58(69)31-14-2-3-15-32-58)26-29-47(46)61(56(59)67)57(68)73-39-41-24-27-44(28-25-41)63(70)71/h6-13,18-29,38,49-53,64,69H,1-5,14-17,31-32,34-37,39H2/t49-,50-,51-,52+,53+,59-/m0/s1