methyl 4-[2-[[(2S)-2-[[(1S,4S,5R)-3-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-1-[methyl(phenylsulfonyl)amino]butan-2-yl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-4-yl]carbonylamino]-4,4-bis(fluoranyl)butanoyl]amino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[(2S)-2-[[(1S,4S,5R)-3-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-1-[methyl(phenylsulfonyl)amino]butan-2-yl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-4-yl]carbonylamino]-4,4-bis(fluoranyl)butanoyl]amino]ethyl]benzoate Openeye Name: methyl 4-[2-[[(2S)-2-[[(1S,4S,5R)-3-[(2S)-2-[[(1S)-1-[[benzenesulfonyl(methyl)amino]methyl]-2-methyl-propyl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carbonyl]amino]-4,4-difluoro-butanoyl]amino]ethyl]benzoate CAS Name: 4-[2-[[(2S)-2-[[[(1S,4S,5R)-3-[(2S)-2-[[[[(2S)-1-[benzenesulfonyl(methyl)amino]-3-methylbutan-2-yl]amino]-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-4-yl]-oxomethyl]amino]-4,4-difluoro-1-oxobutyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[(2S)-2-[[(1S,4S,5R)-3-[(2S)-2-[[(2S)-1-[benzenesulfonyl(methyl)amino]-3-methylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carbonyl]amino]-4,4-difluorobutanoyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[(2S)-2-[[(1S,4S,5R)-3-[(2S)-2-[[(1S)-1-[[besyl(methyl)amino]methyl]-2-methyl-propyl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carbonyl]amino]-4,4-difluoro-butanoyl]amino]ethyl]benzoic acid methyl ester Formula: C41H58F2N6O8S MolecularWeight: 832.996426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN(C)S(=O)(=O)C1=CC=CC=C1)NC(=O)NC(C(=O)N2CC3C(C2C(=O)NC(CC(F)F)C(=O)NCCC4=CC=C(C=C4)C(=O)OC)C3(C)C)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](CN(C)S(=O)(=O)C1=CC=CC=C1)NC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@@H](CC(F)F)C(=O)NCCC4=CC=C(C=C4)C(=O)OC)C3(C)C)C(C)(C)C

InChI

InChI=1S/C41H58F2N6O8S/c1-24(2)30(23-48(8)58(55,56)27-13-11-10-12-14-27)46-39(54)47-34(40(3,4)5)37(52)49-22-28-32(41(28,6)7)33(49)36(51)45-29(21-31(42)43)35(50)44-20-19-25-15-17-26(18-16-25)38(53)57-9/h10-18,24,28-34H,19-23H2,1-9H3,(H,44,50)(H,45,51)(H2,46,47,54)/t28-,29-,30+,32-,33-,34+/m0/s1