(2S)-N-[(3S,5S)-1-[(3S,4R)-4-[2,4-bis(fluoranyl)phenyl]-1-(oxan-4-yl)pyrrolidin-3-yl]carbonyl-5-(4-propan-2-ylpiperazin-1-yl)carbonyl-pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide

Systemtic Name: (2S)-N-[(3S,5S)-1-[(3S,4R)-4-[2,4-bis(fluoranyl)phenyl]-1-(oxan-4-yl)pyrrolidin-3-yl]carbonyl-5-(4-propan-2-ylpiperazin-1-yl)carbonyl-pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide Openeye Name: (2S)-N-[(3S,5S)-1-[(3S,4R)-4-(2,4-difluorophenyl)-1-tetrahydropyran-4-yl-pyrrolidine-3-carbonyl]-5-(4-isopropylpiperazine-1-carbonyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)tetrahydrofuran-2-carboxamide CAS Name: (2S)-N-[(3S,5S)-1-[[(3S,4R)-4-(2,4-difluorophenyl)-1-(4-oxanyl)-3-pyrrolidinyl]-oxomethyl]-5-[oxo-(4-propan-2-yl-1-piperazinyl)methyl]-3-pyrrolidinyl]-N-(4,4-dimethylcyclohexyl)-2-oxolanecarboxamide IUPAC Name: (2S)-N-[(3S,5S)-1-[(3S,4R)-4-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine-3-carbonyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide Traditional Name: (2S)-N-[(3S,5S)-1-[(3S,4R)-4-(2,4-difluorophenyl)-1-tetrahydropyran-4-yl-pyrrolidine-3-carbonyl]-5-(4-isopropylpiperazine-1-carbonyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)tetrahydrofuran-2-carboxamide Formula: C41H61F2N5O5 MolecularWeight: 741.950346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)C2CC(CN2C(=O)C3CN(CC3C4=C(C=C(C=C4)F)F)C5CCOCC5)N(C6CCC(CC6)(C)C)C(=O)C7CCCO7

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)[C@@H]2C[C@@H](CN2C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C5CCOCC5)N(C6CCC(CC6)(C)C)C(=O)[C@@H]7CCCO7

InChI

InChI=1S/C41H61F2N5O5/c1-27(2)44-15-17-45(18-16-44)39(50)36-23-31(48(40(51)37-6-5-19-53-37)30-9-13-41(3,4)14-10-30)24-47(36)38(49)34-26-46(29-11-20-52-21-12-29)25-33(34)32-8-7-28(42)22-35(32)43/h7-8,22,27,29-31,33-34,36-37H,5-6,9-21,23-26H2,1-4H3/t31-,33-,34+,36-,37-/m0/s1