(3R,4S,6R,7R,8S,8aS)-8-(azocan-1-ylcarbonyl)-6-[2-(2-hydroxyethyloxy)phenyl]-5'-[2-(1-oxidanylcycloheptyl)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-(1-oxidanylcycloheptyl)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)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-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]-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-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)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-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)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[2-(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'-carboxamide Formula: C60H64N4O8 MolecularWeight: 969.17216

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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(CCCCCC4)O)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(CCCCCC4)O)[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/C60H64N4O8/c1-41(43-22-10-7-11-23-43)61-58(69)63-48-31-30-42(32-35-59(70)33-18-3-4-19-34-59)40-47(48)60(57(63)68)50(55(66)62-36-20-5-2-6-21-37-62)52-56(67)72-53(45-26-14-9-15-27-45)51(44-24-12-8-13-25-44)64(52)54(60)46-28-16-17-29-49(46)71-39-38-65/h7-17,22-31,40-41,50-54,65,70H,2-6,18-21,33-34,36-39H2,1H3,(H,61,69)/t41-,50+,51+,52+,53-,54-,60+/m1/s1