N-[(3S,5S)-1-[(3R,4R)-4-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-pyrrolidin-3-yl]carbonyl-5-(4-methylpiperazin-1-yl)carbonyl-pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethyl-3-oxidanyl-propanamide

Systemtic Name: N-[(3S,5S)-1-[(3R,4R)-4-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-pyrrolidin-3-yl]carbonyl-5-(4-methylpiperazin-1-yl)carbonyl-pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethyl-3-oxidanyl-propanamide Openeye Name: N-[(3S,5S)-1-[(3R,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-3-hydroxy-2,2-dimethyl-propanamide CAS Name: N-[(3S,5S)-1-[[(3R,4R)-1-tert-butyl-4-(2,4-difluorophenyl)-3-pyrrolidinyl]-oxomethyl]-5-[(4-methyl-1-piperazinyl)-oxomethyl]-3-pyrrolidinyl]-N-(4,4-dimethylcyclohexyl)-3-hydroxy-2,2-dimethylpropanamide IUPAC Name: N-[(3S,5S)-1-[(3R,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-3-hydroxy-2,2-dimethylpropanamide Traditional Name: N-[(3S,5S)-1-[(3R,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-3-hydroxy-2,2-dimethyl-propionamide Formula: C38H59F2N5O4 MolecularWeight: 687.902966

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)N(C2CC(N(C2)C(=O)C3CN(CC3C4=C(C=C(C=C4)F)F)C(C)(C)C)C(=O)N5CCN(CC5)C)C(=O)C(C)(C)CO)C

Isomeric SMILES

CC1(CCC(CC1)N([C@H]2C[C@H](N(C2)C(=O)[C@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C(C)(C)C)C(=O)N5CCN(CC5)C)C(=O)C(C)(C)CO)C

InChI

InChI=1S/C38H59F2N5O4/c1-36(2,3)43-22-29(28-10-9-25(39)19-31(28)40)30(23-43)33(47)44-21-27(20-32(44)34(48)42-17-15-41(8)16-18-42)45(35(49)38(6,7)24-46)26-11-13-37(4,5)14-12-26/h9-10,19,26-27,29-30,32,46H,11-18,20-24H2,1-8H3/t27-,29-,30-,32-/m0/s1