(2S,3S,4S,5R,6S)-6-[5-[[(2S)-3-(4-acetamidophenoxy)-2-methyl-2-oxidanyl-propanoyl]amino]-2-nitro-3-(trifluoromethyl)phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[5-[[(2S)-3-(4-acetamidophenoxy)-2-methyl-2-oxidanyl-propanoyl]amino]-2-nitro-3-(trifluoromethyl)phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[5-[[(2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-propanoyl]amino]-2-nitro-3-(trifluoromethyl)phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[5-[[(2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-1-oxopropyl]amino]-2-nitro-3-(trifluoromethyl)phenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[5-[[(2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methylpropanoyl]amino]-2-nitro-3-(trifluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[5-[[(2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-propanoyl]amino]-2-nitro-3-(trifluoromethyl)phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C25H26F3N3O13 MolecularWeight: 633.48145

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(C)(C(=O)NC2=CC(=C(C(=C2)C(F)(F)F)[N+](=O)[O-])OC3C(C(C(C(O3)C(=O)O)O)O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@@](C)(C(=O)NC2=CC(=C(C(=C2)C(F)(F)F)[N+](=O)[O-])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O

InChI

InChI=1S/C25H26F3N3O13/c1-10(32)29-11-3-5-13(6-4-11)42-9-24(2,39)23(38)30-12-7-14(25(26,27)28)16(31(40)41)15(8-12)43-22-19(35)17(33)18(34)20(44-22)21(36)37/h3-8,17-20,22,33-35,39H,9H2,1-2H3,(H,29,32)(H,30,38)(H,36,37)/t17-,18-,19+,20-,22+,24-/m0/s1