2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-8-aminocarbonyl-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: 2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-8-aminocarbonyl-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: 2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-8-carbamoyl-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-carbamoyl-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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-8-carbamoyl-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-carbamoyl-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 2-methoxyethyl ester Formula: C48H49N3O10 MolecularWeight: 827.91676

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)N1C2=C(C=C(C=C2)C#CC3(CCCCCC3)O)C4(C1=O)C(C5C(=O)OC(C(N5C4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N

Isomeric SMILES

COCCOC(=O)N1C2=C(C=C(C=C2)C#CC3(CCCCCC3)O)[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)N

InChI

InChI=1S/C48H49N3O10/c1-58-28-29-60-46(56)50-36-21-20-31(22-25-47(57)23-12-2-3-13-24-47)30-35(36)48(45(50)55)38(43(49)53)40-44(54)61-41(33-16-8-5-9-17-33)39(32-14-6-4-7-15-32)51(40)42(48)34-18-10-11-19-37(34)59-27-26-52/h4-11,14-21,30,38-42,52,57H,2-3,12-13,23-24,26-29H2,1H3,(H2,49,53)/t38-,39-,40-,41+,42+,48-/m0/s1