ethyl (2S,3S)-2-[[(2S)-2-[[(3R,4S)-2,2-bis(fluoranyl)-4-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-oxidanyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoate

Systemtic Name: ethyl (2S,3S)-2-[[(2S)-2-[[(3R,4S)-2,2-bis(fluoranyl)-4-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-oxidanyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoate Openeye Name: ethyl (2S,3S)-2-[[(2S)-2-[[(3R,4S)-4-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-2,2-difluoro-3-hydroxy-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(2S)-2-[[(3R,4S)-2,2-difluoro-3-hydroxy-4-[[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylpentanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-2-[[(2S)-2-[[(3R,4S)-2,2-difluoro-3-hydroxy-4-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[(2S)-2-[[(3R,4S)-4-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-2,2-difluoro-3-hydroxy-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-valeric acid ethyl ester Formula: C28H50F2N4O8 MolecularWeight: 608.715406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC)NC(=O)C(C(C)C)NC(=O)C(C(C(C)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C)O)(F)F

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OCC)NC(=O)[C@H](C(C)C)NC(=O)C([C@@H]([C@H](C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)O)(F)F

InChI

InChI=1S/C28H50F2N4O8/c1-12-16(7)20(24(38)41-13-2)32-23(37)18(14(3)4)33-25(39)28(29,30)21(35)17(8)31-22(36)19(15(5)6)34-26(40)42-27(9,10)11/h14-21,35H,12-13H2,1-11H3,(H,31,36)(H,32,37)(H,33,39)(H,34,40)/t16-,17-,18-,19-,20-,21+/m0/s1