(2R,3S,4R,5S)-N-[(3S)-3,4-bis(oxidanyl)butyl]-3-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide

Systemtic Name: (2R,3S,4R,5S)-N-[(3S)-3,4-bis(oxidanyl)butyl]-3-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide Openeye Name: (2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide CAS Name: (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-2-pyrrolidinecarboxamide IUPAC Name: (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide Traditional Name: (2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-neopentyl-pyrrolidine-2-carboxamide Formula: C27H32Cl2FN3O3 MolecularWeight: 536.465683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1C(C(C(N1)C(=O)NCCC(CO)O)C2=C(C(=CC=C2)Cl)F)(C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)C2=C(C(=CC=C2)Cl)F)(C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H32Cl2FN3O3/c1-26(2,3)13-21-27(15-31,16-7-9-17(28)10-8-16)22(19-5-4-6-20(29)23(19)30)24(33-21)25(36)32-12-11-18(35)14-34/h4-10,18,21-22,24,33-35H,11-14H2,1-3H3,(H,32,36)/t18-,21-,22-,24+,27-/m0/s1