(1S,4S,5R)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[6,6,6-tris(fluoranyl)-1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hexan-3-yl]-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: (1S,4S,5R)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[6,6,6-tris(fluoranyl)-1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hexan-3-yl]-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (1S,4S,5R)-N-[1-[2-(allylamino)-2-oxo-acetyl]-4,4,4-trifluoro-butyl]-3-[(2S)-2-[[(1S)-2,2-dimethyl-1-[[methyl(methylsulfonyl)amino]methyl]propyl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (1S,4S,5R)-3-[(2S)-2-[[[[(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (1S,4S,5R)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (1S,4S,5R)-N-[1-[2-(allylamino)-2-keto-acetyl]-4,4,4-trifluoro-butyl]-3-[(2S)-2-[[(1S)-1-[[mesyl(methyl)amino]methyl]-2,2-dimethyl-propyl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C32H53F3N6O7S MolecularWeight: 722.85943

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(CN(C)S(=O)(=O)C)C(C)(C)C)C(=O)NC(CCC(F)(F)F)C(=O)C(=O)NCC=C)C

Isomeric SMILES

CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN(C)S(=O)(=O)C)C(C)(C)C)C(=O)NC(CCC(F)(F)F)C(=O)C(=O)NCC=C)C

InChI

InChI=1S/C32H53F3N6O7S/c1-12-15-36-26(44)23(42)19(13-14-32(33,34)35)37-25(43)22-21-18(31(21,8)9)16-41(22)27(45)24(30(5,6)7)39-28(46)38-20(29(2,3)4)17-40(10)49(11,47)48/h12,18-22,24H,1,13-17H2,2-11H3,(H,36,44)(H,37,43)(H2,38,39,46)/t18-,19?,20+,21-,22-,24+/m0/s1