(2S)-N-[5,5,6,6,7,7,7-heptakis(fluoranyl)-2-methyl-4-oxidanylidene-heptan-3-yl]-1-[(2S)-3-methyl-2-[(4-morpholin-4-ylcarbonylphenyl)carbonylamino]butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[5,5,6,6,7,7,7-heptakis(fluoranyl)-2-methyl-4-oxidanylidene-heptan-3-yl]-1-[(2S)-3-methyl-2-[(4-morpholin-4-ylcarbonylphenyl)carbonylamino]butanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(3,3,4,4,5,5,5-heptafluoro-1-isopropyl-2-oxo-pentyl)-1-[(2S)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-(5,5,6,6,7,7,7-heptafluoro-2-methyl-4-oxoheptan-3-yl)-1-[(2S)-3-methyl-2-[[[4-[4-morpholinyl(oxo)methyl]phenyl]-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(5,5,6,6,7,7,7-heptafluoro-2-methyl-4-oxoheptan-3-yl)-1-[(2S)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(3,3,4,4,5,5,5-heptafluoro-1-isopropyl-2-keto-pentyl)-1-[(2S)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]pyrrolidine-2-carboxamide Formula: C30H37F7N4O6 MolecularWeight: 682.626802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(C(C(F)(F)F)(F)F)(F)F)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)C(=O)N3CCOCC3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(C(C(F)(F)F)(F)F)(F)F)NC(=O)C2=CC=C(C=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C30H37F7N4O6/c1-16(2)21(23(42)28(31,32)29(33,34)30(35,36)37)38-25(44)20-6-5-11-41(20)27(46)22(17(3)4)39-24(43)18-7-9-19(10-8-18)26(45)40-12-14-47-15-13-40/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,38,44)(H,39,43)/t20-,21?,22-/m0/s1