N-[[(2R,3S,4S,5R,6R)-6-[(1R,2R,3S,4R,6S)-3-[(2S,3R,4S,5S,6R)-4-acetamido-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]ethanamide

Systemtic Name: N-[[(2R,3S,4S,5R,6R)-6-[(1R,2R,3S,4R,6S)-3-[(2S,3R,4S,5S,6R)-4-acetamido-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]ethanamide Openeye Name: N-[[(2R,3S,4S,5R,6R)-6-[(1R,2R,3S,4R,6S)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,6-diamino-2-hydroxy-cyclohexoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl]acetamide CAS Name: N-[[(2R,3S,4S,5R,6R)-6-[(1R,2R,3S,4R,6S)-3-[[(2S,3R,4S,5S,6R)-4-acetamido-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,6-diamino-2-hydroxycyclohexyl]oxy-3,4,5-trihydroxy-2-oxanyl]methyl]acetamide IUPAC Name: N-[[(2R,3S,4S,5R,6R)-6-[(1R,2R,3S,4R,6S)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-diamino-2-hydroxycyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide Traditional Name: N-[[(2R,3S,4S,5R,6R)-6-[(1R,2R,3S,4R,6S)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,6-diamino-2-hydroxy-cyclohexoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl]acetamide Formula: C22H40N4O13 MolecularWeight: 568.572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1C(C(C(C(O1)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)NC(=O)C)O)N)N)O)O)O

Isomeric SMILES

CC(=O)NC[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)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)NC(=O)C)O)N)N)O)O)O

InChI

InChI=1S/C22H40N4O13/c1-6(28)25-4-10-14(31)16(33)17(34)22(36-10)39-20-9(24)3-8(23)19(18(20)35)38-21-15(32)12(26-7(2)29)13(30)11(5-27)37-21/h8-22,27,30-35H,3-5,23-24H2,1-2H3,(H,25,28)(H,26,29)/t8-,9+,10-,11-,12+,13-,14-,15-,16+,17-,18-,19+,20-,21-,22-/m1/s1