(4-nitrophenyl)methyl (3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethyloxy)phenyl]-5'-(4-oxidanylbut-1-ynyl)-1,2'-bis(oxidanylidene)-3,4-diphenyl-8-(prop-2-enylcarbamoyl)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-[4-(2-hydroxyethyloxy)phenyl]-5'-(4-oxidanylbut-1-ynyl)-1,2'-bis(oxidanylidene)-3,4-diphenyl-8-(prop-2-enylcarbamoyl)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-(allylcarbamoyl)-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)-5'-(4-hydroxybut-1-ynyl)-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-8-[oxo-(prop-2-enylamino)methyl]-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'-(4-hydroxybut-1-ynyl)-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-8-(prop-2-enylcarbamoyl)spiro[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-(allylcarbamoyl)-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: C50H44N4O11 MolecularWeight: 876.90456

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1C2C(=O)OC(C(N2C(C13C4=C(C=CC(=C4)C#CCCO)N(C3=O)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]([C@@H](N2[C@@H]([C@]13C4=C(C=CC(=C4)C#CCCO)N(C3=O)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C50H44N4O11/c1-2-26-51-46(57)41-43-47(58)65-44(35-14-7-4-8-15-35)42(34-12-5-3-6-13-34)53(43)45(36-19-23-38(24-20-36)63-29-28-56)50(41)39-30-32(11-9-10-27-55)18-25-40(39)52(48(50)59)49(60)64-31-33-16-21-37(22-17-33)54(61)62/h2-8,12-25,30,41-45,55-56H,1,10,26-29,31H2,(H,51,57)/t41-,42-,43-,44+,45+,50-/m0/s1