3-[3,5-bis(iodanyl)-4-[(3R,4R,5S,6S)-3,4,5-triacetyloxy-5-ethyl-6-methoxycarbonyl-oxan-2-yl]oxy-phenyl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoic acid

Systemtic Name: 3-[3,5-bis(iodanyl)-4-[(3R,4R,5S,6S)-3,4,5-triacetyloxy-5-ethyl-6-methoxycarbonyl-oxan-2-yl]oxy-phenyl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoic acid Openeye Name: 3-[3,5-diiodo-4-[(3R,4R,5S,6S)-3,4,5-triacetoxy-5-ethyl-6-methoxycarbonyl-tetrahydropyran-2-yl]oxy-phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid CAS Name: 3-[3,5-diiodo-4-[[(3R,4R,5S,6S)-3,4,5-triacetyloxy-5-ethyl-6-methoxycarbonyl-2-oxanyl]oxy]phenyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid IUPAC Name: 3-[3,5-diiodo-4-[(3R,4R,5S,6S)-3,4,5-triacetyloxy-5-ethyl-6-methoxycarbonyloxan-2-yl]oxyphenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid Traditional Name: 3-[3,5-diiodo-4-[(3R,4R,5S,6S)-3,4,5-triacetoxy-6-carbomethoxy-5-ethyl-tetrahydropyran-2-yl]oxy-phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propionic acid Formula: C26H28F3I2NO13 MolecularWeight: 873.30357

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(C(OC1C(=O)OC)OC2=C(C=C(C=C2I)CC(C(=O)O)NC(=O)C(F)(F)F)I)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC[C@@]1([C@@H]([C@H](C(O[C@@H]1C(=O)OC)OC2=C(C=C(C=C2I)CC(C(=O)O)NC(=O)C(F)(F)F)I)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C26H28F3I2NO13/c1-6-25(45-12(4)35)19(42-11(3)34)18(41-10(2)33)23(44-20(25)22(38)40-5)43-17-14(30)7-13(8-15(17)31)9-16(21(36)37)32-24(39)26(27,28)29/h7-8,16,18-20,23H,6,9H2,1-5H3,(H,32,39)(H,36,37)/t16?,18-,19-,20-,23?,25+/m1/s1