(2S)-2-[2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxyethanoylamino]ethanoylamino]-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-[2-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxyethanoylamino]ethanoylamino]-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-[[2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyacetyl]amino]acetyl]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-[[2-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-oxoethyl]amino]-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-[[2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]acetyl]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-[[2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxyacetyl]amino]acetyl]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: C36H56N10O19 MolecularWeight: 932.88544

Click to see the large picture

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)CNC(=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)CNC(=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/C36H56N10O19/c1-13-23(52)27(56)29(58)35(63-13)62-10-19(50)38-6-4-3-5-15(43-18(49)8-39-20(51)11-61-34-21(42-14(2)48)26(55)25(54)17(9-47)65-34)31(59)40-7-16-24(53)28(57)33(64-16)46-12-41-22-30(46)44-36(37)45-32(22)60/h12-13,15-17,21,23-29,33-35,47,52-58H,3-11H2,1-2H3,(H,38,50)(H,39,51)(H,40,59)(H,42,48)(H,43,49)(H3,37,44,45,60)/t13-,15-,16+,17+,21+,23+,24+,25+,26+,27+,28+,29-,33+,34+,35-/m0/s1