(1S,4S,5R)-N-[1-(but-3-ynylamino)-6,6-bis(fluoranyl)-1,2-bis(oxidanylidene)heptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(phenylsulfonylmethyl)cyclopentyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: (1S,4S,5R)-N-[1-(but-3-ynylamino)-6,6-bis(fluoranyl)-1,2-bis(oxidanylidene)heptan-3-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(phenylsulfonylmethyl)cyclopentyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (1S,4S,5R)-3-[(2S)-2-[[1-(benzenesulfonylmethyl)cyclopentyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[1-[2-(but-3-ynylamino)-2-oxo-acetyl]-4,4-difluoro-pentyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (1S,4S,5R)-3-[(2S)-2-[[[[1-(benzenesulfonylmethyl)cyclopentyl]amino]-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[1-(but-3-ynylamino)-6,6-difluoro-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (1S,4S,5R)-3-[(2S)-2-[[1-(benzenesulfonylmethyl)cyclopentyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1-(but-3-ynylamino)-6,6-difluoro-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (1S,4S,5R)-3-[(2S)-2-[[1-(besylmethyl)cyclopentyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[1-[2-(but-3-ynylamino)-2-keto-acetyl]-4,4-difluoro-pentyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C38H53F2N5O7S MolecularWeight: 761.918526

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3(CCCC3)CS(=O)(=O)C4=CC=CC=C4)C(=O)NC(CCC(C)(F)F)C(=O)C(=O)NCCC#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)NC3(CCCC3)CS(=O)(=O)C4=CC=CC=C4)C(=O)NC(CCC(C)(F)F)C(=O)C(=O)NCCC#C)C

InChI

InChI=1S/C38H53F2N5O7S/c1-8-9-21-41-32(48)29(46)26(17-20-37(7,39)40)42-31(47)28-27-25(36(27,5)6)22-45(28)33(49)30(35(2,3)4)43-34(50)44-38(18-13-14-19-38)23-53(51,52)24-15-11-10-12-16-24/h1,10-12,15-16,25-28,30H,9,13-14,17-23H2,2-7H3,(H,41,48)(H,42,47)(H2,43,44,50)/t25-,26?,27-,28-,30+/m0/s1