(4S,6S)-8,8,8-tris(fluoranyl)-6-methanoyl-4-[[(2S)-2-[[(2S)-4-methylsulfanyl-2-[[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-4-oxidanyl-4-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanoyl]amino]pentanoyl]amino]butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-octanoic acid

Systemtic Name: (4S,6S)-8,8,8-tris(fluoranyl)-6-methanoyl-4-[[(2S)-2-[[(2S)-4-methylsulfanyl-2-[[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-4-oxidanyl-4-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanoyl]amino]pentanoyl]amino]butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-octanoic acid Openeye Name: (4S,6S)-8,8,8-trifluoro-6-formyl-4-[[(2S)-5-hydroxy-2-[[(2S)-2-[[(2S)-5-hydroxy-2-[[(2S)-4-hydroxy-2-[(4-hydroxy-4-oxo-butanoyl)amino]-4-oxo-butanoyl]amino]-5-oxo-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-oxo-pentanoyl]amino]-5-oxo-octanoic acid CAS Name: (4S,6S)-8,8,8-trifluoro-6-formyl-4-[[(2S)-5-hydroxy-2-[[(2S)-2-[[(2S)-5-hydroxy-2-[[(2S)-4-hydroxy-2-[(4-hydroxy-1,4-dioxobutyl)amino]-1,4-dioxobutyl]amino]-1,5-dioxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-5-oxooctanoic acid IUPAC Name: (4S,6S)-8,8,8-trifluoro-6-formyl-4-[[(2S)-5-hydroxy-2-[[(2S)-2-[[(2S)-5-hydroxy-2-[[(2S)-4-hydroxy-2-[(4-hydroxy-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-5-oxooctanoic acid Traditional Name: (4S,6S)-8,8,8-trifluoro-6-formyl-4-[[(2S)-5-hydroxy-2-[[(2S)-2-[[(2S)-5-hydroxy-2-[[(2S)-4-hydroxy-2-[(4-hydroxy-4-keto-butanoyl)amino]-4-keto-butanoyl]amino]-5-keto-pentanoyl]amino]-4-(methylthio)butanoyl]amino]-5-keto-pentanoyl]amino]-5-keto-caprylic acid Formula: C32H44F3N5O17S MolecularWeight: 859.77527

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)C(CC(F)(F)F)C=O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCC(=O)O

Isomeric SMILES

CSCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)[C@@H](CC(F)(F)F)C=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C32H44F3N5O17S/c1-58-11-10-19(40-29(55)18(4-8-24(47)48)39-31(57)20(12-26(51)52)36-21(42)5-9-25(49)50)30(56)38-17(3-7-23(45)46)28(54)37-16(2-6-22(43)44)27(53)15(14-41)13-32(33,34)35/h14-20H,2-13H2,1H3,(H,36,42)(H,37,54)(H,38,56)(H,39,57)(H,40,55)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/t15-,16-,17-,18-,19-,20-/m0/s1