(3R,4S,6R,7R,8S,8aS)-N8-(1,3-benzothiazol-2-yl)-6-[4-(2-hydroxyethyloxy)phenyl]-5'-(4-oxidanylbut-1-ynyl)-1,2'-bis(oxidanylidene)-3,4-diphenyl-N1'-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1',8-dicarboxamide

Systemtic Name: (3R,4S,6R,7R,8S,8aS)-N8-(1,3-benzothiazol-2-yl)-6-[4-(2-hydroxyethyloxy)phenyl]-5'-(4-oxidanylbut-1-ynyl)-1,2'-bis(oxidanylidene)-3,4-diphenyl-N1'-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1',8-dicarboxamide Openeye Name: (3R,4S,6R,7R,8S,8aS)-N8-(1,3-benzothiazol-2-yl)-5'-(4-hydroxybut-1-ynyl)-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-N1'-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1',8-dicarboxamide CAS Name: (3R,4S,6R,7R,8S,8aS)-N8-(1,3-benzothiazol-2-yl)-5'-(4-hydroxybut-1-ynyl)-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-N1'-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1',8-dicarboxamide IUPAC Name: (3R,4S,6R,7R,8S,8aS)-8-N-(1,3-benzothiazol-2-yl)-5'-(4-hydroxybut-1-ynyl)-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-1-N'-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1',8-dicarboxamide Traditional Name: (3R,4S,6R,7R,8S,8aS)-N'-(1,3-benzothiazol-2-yl)-5'-(4-hydroxybut-1-ynyl)-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-diketo-3,4-diphenyl-N-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1',8-dicarboxamide Formula: C55H47N5O8S MolecularWeight: 938.05538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCCO)C4(C2=O)C(C5C(=O)OC(C(N5C4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=NC1=CC=CC=C1S9

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCCO)[C@]4(C2=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=NC1=CC=CC=C1S9

InChI

InChI=1S/C55H47N5O8S/c1-34(36-16-5-2-6-17-36)56-54(66)59-43-29-24-35(15-13-14-30-61)33-41(43)55(52(59)65)45(50(63)58-53-57-42-22-11-12-23-44(42)69-53)47-51(64)68-48(38-20-9-4-10-21-38)46(37-18-7-3-8-19-37)60(47)49(55)39-25-27-40(28-26-39)67-32-31-62/h2-12,16-29,33-34,45-49,61-62H,14,30-32H2,1H3,(H,56,66)(H,57,58,63)/t34-,45+,46+,47+,48-,49-,55+/m1/s1