(2S,3S,4R,5R)-3-[(2R,3R,4R,5S,6S)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2R,3R,4R,5S,6R)-3-azanyl-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-N-[(4-nitrophenyl)methyl]-4-oxidanyl-oxolane-2-carboxamide; 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoic acid

Systemtic Name: (2S,3S,4R,5R)-3-[(2R,3R,4R,5S,6S)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2R,3R,4R,5S,6R)-3-azanyl-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-N-[(4-nitrophenyl)methyl]-4-oxidanyl-oxolane-2-carboxamide; 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoic acid Openeye Name: (2S,3S,4R,5R)-3-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-N-[(4-nitrophenyl)methyl]tetrahydrofuran-2-carboxamide; 2,2,3,3,4,4,4-heptafluorobutanoic acid CAS Name: (2S,3S,4R,5R)-3-[[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxy-2-oxanyl]oxy]-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-N-[(4-nitrophenyl)methyl]-2-oxolanecarboxamide; 2,2,3,3,4,4,4-heptafluorobutanoic acid IUPAC Name: (2S,3S,4R,5R)-3-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-N-[(4-nitrophenyl)methyl]oxolane-2-carboxamide; 2,2,3,3,4,4,4-heptafluorobutanoic acid Traditional Name: (2S,3S,4R,5R)-3-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-N-(4-nitrobenzyl)tetrahydrofuran-2-carboxamide; 2,2,3,3,4,4,4-heptafluorobutyric acid Formula: C50H54F35N7O25 MolecularWeight: 1817.939772

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(CC(C(C2OC3C(C(C(O3)C(=O)NCC4=CC=C(C=C4)[N+](=O)[O-])OC5C(C(C(C(O5)CN)O)O)N)O)O)N)N)N)O)O.C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O.C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O.C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O.C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O.C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCC4=CC=C(C=C4)[N+](=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)O)N)N)N)O)O.C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O.C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O.C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O.C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O.C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C30H49N7O15.5C4HF7O2/c1-9-17(38)20(41)15(34)28(47-9)49-23-13(33)6-12(32)18(39)24(23)51-30-22(43)25(50-29-16(35)21(42)19(40)14(7-31)48-29)26(52-30)27(44)36-8-10-2-4-11(5-3-10)37(45)46;5*5-2(6,1(12)13)3(7,8)4(9,10)11/h2-5,9,12-26,28-30,38-43H,6-8,31-35H2,1H3,(H,36,44);5*(H,12,13)/t9-,12-,13+,14+,15-,16-,17-,18+,19-,20-,21-,22-,23-,24-,25+,26+,28-,29-,30-;;;;;/m1...../s1