(1S,2R)-2-[bis(fluoranyl)methyl]-1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(xanthen-9-ylideneamino)oxy-pyrrolidin-2-yl]carbonylamino]cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[bis(fluoranyl)methyl]-1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(xanthen-9-ylideneamino)oxy-pyrrolidin-2-yl]carbonylamino]cyclopropane-1-carboxylic acid Openeye Name: (1S,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(xanthen-9-ylideneamino)oxy-pyrrolidine-2-carbonyl]amino]-2-(difluoromethyl)cyclopropanecarboxylic acid CAS Name: (1S,2R)-2-(difluoromethyl)-1-[[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-4-(9-xanthenylideneamino)oxy-2-pyrrolidinyl]-oxomethyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2R)-2-(difluoromethyl)-1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(xanthen-9-ylideneamino)oxypyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid Traditional Name: (1S,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(xanthen-9-ylideneamino)oxy-prolyl]amino]-2-(difluoromethyl)cyclopropanecarboxylic acid Formula: C34H40F2N4O8 MolecularWeight: 670.700206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C(F)F)C(=O)O)ON=C3C4=CC=CC=C4OC5=CC=CC=C53)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@]2(C[C@H]2C(F)F)C(=O)O)ON=C3C4=CC=CC=C4OC5=CC=CC=C53)NC(=O)OC(C)(C)C

InChI

InChI=1S/C34H40F2N4O8/c1-32(2,3)26(37-31(45)47-33(4,5)6)29(42)40-17-18(15-22(40)28(41)38-34(30(43)44)16-21(34)27(35)36)48-39-25-19-11-7-9-13-23(19)46-24-14-10-8-12-20(24)25/h7-14,18,21-22,26-27H,15-17H2,1-6H3,(H,37,45)(H,38,41)(H,43,44)/t18-,21+,22+,26-,34+/m1/s1