(2S,3S,4R,5S,6S)-N-[(5S)-5-[2-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxyheptanoylamino]-6-[[2-[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-2-oxidanylidene-ethyl]amino]-6-oxidanylidene-hexyl]-6-methyl-3,4,5-tris(oxidanyl)oxane-2-carboxamide

Systemtic Name: (2S,3S,4R,5S,6S)-N-[(5S)-5-[2-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxyheptanoylamino]-6-[[2-[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-2-oxidanylidene-ethyl]amino]-6-oxidanylidene-hexyl]-6-methyl-3,4,5-tris(oxidanyl)oxane-2-carboxamide Openeye Name: (2S,3S,4R,5S,6S)-N-[(5S)-5-[2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyheptanoylamino]-6-[[2-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylamino]-2-oxo-ethyl]amino]-6-oxo-hexyl]-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-carboxamide CAS Name: (2S,3S,4R,5S,6S)-N-[(5S)-5-[[2-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-oxoheptyl]amino]-6-[[2-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methylamino]-2-oxoethyl]amino]-6-oxohexyl]-3,4,5-trihydroxy-6-methyl-2-oxanecarboxamide IUPAC Name: (2S,3S,4R,5S,6S)-N-[(5S)-5-[2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]-6-[[2-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-2-oxoethyl]amino]-6-oxohexyl]-3,4,5-trihydroxy-6-methyloxane-2-carboxamide Traditional Name: (2S,3S,4R,5S,6S)-N-[(5S)-5-[2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxyheptanoylamino]-6-[[2-[[(2R,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylamino]-2-keto-ethyl]amino]-6-keto-hexyl]-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-carboxamide Formula: C40H64N10O18 MolecularWeight: 972.99236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)NC(CCCCNC(=O)C1C(C(C(C(O1)C)O)O)O)C(=O)NCC(=O)NCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O)OC5C(C(C(C(O5)CO)O)O)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C40H64N10O18/c1-4-5-6-10-19(67-39-23(46-17(3)52)28(57)27(56)21(14-51)68-39)35(62)47-18(9-7-8-11-42-37(64)32-30(59)29(58)25(54)16(2)65-32)34(61)44-13-22(53)43-12-20-26(55)31(60)38(66-20)50-15-45-24-33(50)48-40(41)49-36(24)63/h15-16,18-21,23,25-32,38-39,51,54-60H,4-14H2,1-3H3,(H,42,64)(H,43,53)(H,44,61)(H,46,52)(H,47,62)(H3,41,48,49,63)/t16-,18-,19?,20+,21+,23+,25+,26+,27+,28+,29+,30-,31+,32-,38+,39+/m0/s1