dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-aminocarbonyl-6-[4-(2-hydroxyethyloxy)phenyl]-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]-5'-yl]prop-2-ynyl]propanedioate

Systemtic Name: dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-aminocarbonyl-6-[4-(2-hydroxyethyloxy)phenyl]-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]-5'-yl]prop-2-ynyl]propanedioate Openeye Name: dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-carbamoyl-6-[4-(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]-5'-yl]prop-2-ynyl]propanedioate CAS Name: 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-carbamoyl-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-1'-[oxo-[[(1R)-1-phenylethyl]amino]methyl]-3,4-diphenyl-5'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]yl]prop-2-ynyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-carbamoyl-6-[4-(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]-5'-yl]prop-2-ynyl]propanedioate Traditional Name: 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-carbamoyl-6-[4-(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]-5'-yl]prop-2-ynyl]malonic acid dimethyl ester Formula: C52H48N4O11 MolecularWeight: 904.95772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCC(C(=O)OC)C(=O)OC)C4(C2=O)C(C5C(=O)OC(C(N5C4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCC(C(=O)OC)C(=O)OC)[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)N

InChI

InChI=1S/C52H48N4O11/c1-31(33-15-7-4-8-16-33)54-51(63)55-40-27-22-32(14-13-21-38(47(59)64-2)48(60)65-3)30-39(40)52(50(55)62)41(46(53)58)43-49(61)67-44(35-19-11-6-12-20-35)42(34-17-9-5-10-18-34)56(43)45(52)36-23-25-37(26-24-36)66-29-28-57/h4-12,15-20,22-27,30-31,38,41-45,57H,21,28-29H2,1-3H3,(H2,53,58)(H,54,63)/t31-,41+,42+,43+,44-,45-,52+/m1/s1