(3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethyloxy)phenyl]-5'-[3-[methyl-(phenylmethyl)amino]prop-1-ynyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-1'-[[(1R)-1-phenylethyl]carbamoyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-8-carboxylic acid

Systemtic Name: (3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethyloxy)phenyl]-5'-[3-[methyl-(phenylmethyl)amino]prop-1-ynyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-1'-[[(1R)-1-phenylethyl]carbamoyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-8-carboxylic acid Openeye Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-[benzyl(methyl)amino]prop-1-ynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-1'-[[(1R)-1-phenylethyl]carbamoyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-8-carboxylic acid CAS Name: (3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethoxy)phenyl]-5'-[3-[methyl-(phenylmethyl)amino]prop-1-ynyl]-1,2'-dioxo-1'-[oxo-[[(1R)-1-phenylethyl]amino]methyl]-3,4-diphenyl-8-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]carboxylic acid IUPAC Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-[benzyl(methyl)amino]prop-1-ynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-1'-[[(1R)-1-phenylethyl]carbamoyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-8-carboxylic acid Traditional Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-[benzyl(methyl)amino]prop-1-ynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-diketo-3,4-diphenyl-1'-[[(1R)-1-phenylethyl]carbamoyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-8-carboxylic acid Formula: C55H50N4O8 MolecularWeight: 895.0075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCN(C)CC4=CC=CC=C4)[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)O

InChI

InChI=1S/C55H50N4O8/c1-36(39-21-9-4-10-22-39)56-54(65)58-44-30-29-37(20-17-31-57(2)35-38-18-7-3-8-19-38)34-43(44)55(53(58)64)46(51(61)62)48-52(63)67-49(41-25-13-6-14-26-41)47(40-23-11-5-12-24-40)59(48)50(55)42-27-15-16-28-45(42)66-33-32-60/h3-16,18-19,21-30,34,36,46-50,60H,31-33,35H2,1-2H3,(H,56,65)(H,61,62)/t36-,46+,47+,48+,49-,50-,55+/m1/s1