(3R,4S,6R,7R,8S,8aS)-8-(azocan-1-ylcarbonyl)-6-[2-(2-hydroxyethyloxy)phenyl]-5'-[2-(4-methoxyphenyl)ethynyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-N-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxamide

Systemtic Name: (3R,4S,6R,7R,8S,8aS)-8-(azocan-1-ylcarbonyl)-6-[2-(2-hydroxyethyloxy)phenyl]-5'-[2-(4-methoxyphenyl)ethynyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-N-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxamide Openeye Name: (3R,4S,6R,7R,8S,8aS)-8-(azocane-1-carbonyl)-6-[2-(2-hydroxyethoxy)phenyl]-5'-[2-(4-methoxyphenyl)ethynyl]-1,2'-dioxo-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'-carboxamide CAS Name: (3R,4S,6R,7R,8S,8aS)-8-[1-azocanyl(oxo)methyl]-6-[2-(2-hydroxyethoxy)phenyl]-5'-[2-(4-methoxyphenyl)ethynyl]-1,2'-dioxo-3,4-diphenyl-N-[(1R)-1-phenylethyl]-1'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]carboxamide IUPAC Name: (3R,4S,6R,7R,8S,8aS)-8-(azocane-1-carbonyl)-6-[2-(2-hydroxyethoxy)phenyl]-5'-[2-(4-methoxyphenyl)ethynyl]-1,2'-dioxo-3,4-diphenyl-N-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxamide Traditional Name: (3R,4S,6R,7R,8S,8aS)-8-(azocane-1-carbonyl)-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-diketo-5'-[2-(4-methoxyphenyl)ethynyl]-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'-carboxamide Formula: C60H58N4O8 MolecularWeight: 963.12452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CC4=CC=C(C=C4)OC)C5(C2=O)C(C6C(=O)OC(C(N6C5C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)N1CCCCCCC1

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CC4=CC=C(C=C4)OC)[C@]5(C2=O)[C@@H]([C@H]6C(=O)O[C@@H]([C@@H](N6[C@@H]5C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)N1CCCCCCC1

InChI

InChI=1S/C60H58N4O8/c1-40(43-19-9-6-10-20-43)61-59(69)63-49-34-31-42(28-27-41-29-32-46(70-2)33-30-41)39-48(49)60(58(63)68)51(56(66)62-35-17-4-3-5-18-36-62)53-57(67)72-54(45-23-13-8-14-24-45)52(44-21-11-7-12-22-44)64(53)55(60)47-25-15-16-26-50(47)71-38-37-65/h6-16,19-26,29-34,39-40,51-55,65H,3-5,17-18,35-38H2,1-2H3,(H,61,69)/t40-,51+,52+,53+,54-,55-,60+/m1/s1