N-tert-butyl-1-[4-[[5-[[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanoyl]amino]-6-oxidanylidene-6-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octylamino]hexyl]carbamoyl]phenyl]methanimine oxide

Systemtic Name: N-tert-butyl-1-[4-[[5-[[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanoyl]amino]-6-oxidanylidene-6-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octylamino]hexyl]carbamoyl]phenyl]methanimine oxide Openeye Name: N-tert-butyl-1-[4-[[6-oxo-5-[[2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoyl]amino]-6-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylamino)hexyl]carbamoyl]phenyl]methanimine oxide CAS Name: N-tert-butyl-1-[4-[oxo-[[6-oxo-5-[[2,3,5,6-tetrahydroxy-1-oxo-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexyl]amino]-6-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylamino)hexyl]amino]methyl]phenyl]methanimine oxide IUPAC Name: N-tert-butyl-1-[4-[[6-oxo-5-[[2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl]amino]-6-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylamino)hexyl]carbamoyl]phenyl]methanimine oxide Traditional Name: N-tert-butyl-1-[4-[[6-keto-5-[[2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hexanoyl]amino]-6-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylamino)hexyl]carbamoyl]phenyl]methanimine oxide Formula: C38H51F13N4O14 MolecularWeight: 1034.809182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](=CC1=CC=C(C=C1)C(=O)NCCCCC(C(=O)NCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)C(C(C(C(CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)[O-]

Isomeric SMILES

CC(C)(C)/[N+](=C/C1=CC=C(C=C1)C(=O)NCCCCC(C(=O)NCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)C(C(C(C(CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)/[O-]

InChI

InChI=1S/C38H51F13N4O14/c1-32(2,3)55(67)14-17-7-9-18(10-8-17)28(64)52-12-5-4-6-19(29(65)53-13-11-33(39,40)34(41,42)35(43,44)36(45,46)37(47,48)38(49,50)51)54-30(66)25(62)24(61)27(20(58)15-56)69-31-26(63)23(60)22(59)21(16-57)68-31/h7-10,14,19-27,31,56-63H,4-6,11-13,15-16H2,1-3H3,(H,52,64)(H,53,65)(H,54,66)/b55-14-/t19?,20?,21-,22+,23+,24?,25?,26-,27?,31+/m1/s1