(4-nitrophenyl)methyl (3R,4S,6R,7R,8S,8aS)-8-(azocan-1-ylcarbonyl)-6-[4-(2-hydroxyethyloxy)phenyl]-5'-(4-oxidanylbut-1-ynyl)-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-[4-(2-hydroxyethyloxy)phenyl]-5'-(4-oxidanylbut-1-ynyl)-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'-(4-hydroxybut-1-ynyl)-6-[4-(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'-(4-hydroxybut-1-ynyl)-6-[4-(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'-(4-hydroxybut-1-ynyl)-6-[4-(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'-(4-hydroxybut-1-ynyl)-6-[4-(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: C54H52N4O11 MolecularWeight: 933.01088

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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#CCCO)N(C4=O)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])C7=CC=C(C=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9

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#CCCO)N(C4=O)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])C7=CC=C(C=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C54H52N4O11/c59-31-13-10-14-36-21-28-44-43(34-36)54(52(63)56(44)53(64)68-35-37-19-24-41(25-20-37)58(65)66)45(50(61)55-29-11-2-1-3-12-30-55)47-51(62)69-48(39-17-8-5-9-18-39)46(38-15-6-4-7-16-38)57(47)49(54)40-22-26-42(27-23-40)67-33-32-60/h4-9,15-28,34,45-49,59-60H,1-3,11-13,29-33,35H2/t45-,46-,47-,48+,49+,54-/m0/s1