methyl 4-[2-[[(2S)-2-[[(1S,4S,5R)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-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)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-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-[[1-(tert-butylsulfonylmethyl)cyclohexyl]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-[[[[1-(tert-butylsulfonylmethyl)cyclohexyl]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-[[1-(tert-butylsulfonylmethyl)cyclohexyl]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-[[1-(tert-butylsulfonylmethyl)cyclohexyl]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: C40H61F2N5O8S MolecularWeight: 810.002846

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3(CCCCC3)CS(=O)(=O)C(C)(C)C)C(=O)NC(CC(F)F)C(=O)NCCC4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC3)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCC4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C40H61F2N5O8S/c1-37(2,3)31(45-36(52)46-40(18-11-10-12-19-40)23-56(53,54)38(4,5)6)34(50)47-22-26-29(39(26,7)8)30(47)33(49)44-27(21-28(41)42)32(48)43-20-17-24-13-15-25(16-14-24)35(51)55-9/h13-16,26-31H,10-12,17-23H2,1-9H3,(H,43,48)(H,44,49)(H2,45,46,52)/t26-,27-,29-,30-,31+/m0/s1