(2S)-2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxyethanoylamino]-N-[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-6-[2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethanoylamino]hexanamide

Systemtic Name: (2S)-2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxyethanoylamino]-N-[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-6-[2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethanoylamino]hexanamide Openeye Name: (2S)-2-[[2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyacetyl]amino]-N-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-6-[[2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyacetyl]amino]hexanamide CAS Name: (2S)-2-[[2-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-oxoethyl]amino]-N-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-6-[[1-oxo-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]ethyl]amino]hexanamide IUPAC Name: (2S)-2-[[2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-N-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-[[2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyacetyl]amino]hexanamide Traditional Name: (2S)-2-[[2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxyacetyl]amino]-N-[[(2R,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-6-[[2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyacetyl]amino]hexanamide Formula: C34H53N9O18 MolecularWeight: 875.83412

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC(=O)NCCCCC(C(=O)NCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O)NC(=O)COC5C(C(C(C(O5)CO)O)O)NC(=O)C)O)O)O

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OCC(=O)NCCCC[C@@H](C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)O)O)NC(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)O)O

InChI

InChI=1S/C34H53N9O18/c1-12-21(48)25(52)27(54)33(59-12)58-9-17(46)36-6-4-3-5-14(40-18(47)10-57-32-19(39-13(2)45)24(51)23(50)16(8-44)61-32)29(55)37-7-15-22(49)26(53)31(60-15)43-11-38-20-28(43)41-34(35)42-30(20)56/h11-12,14-16,19,21-27,31-33,44,48-54H,3-10H2,1-2H3,(H,36,46)(H,37,55)(H,39,45)(H,40,47)(H3,35,41,42,56)/t12-,14-,15+,16+,19+,21+,22+,23+,24+,25+,26+,27-,31+,32+,33-/m0/s1