N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-2-octoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4-oxidanyl-oxan-3-yl]propanamide

Systemtic Name: N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-2-octoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4-oxidanyl-oxan-3-yl]propanamide Openeye Name: N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxy-tetrahydropyran-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]propanamide CAS Name: N-[(2S,3R,4R,5S,6R)-5-[[(2S,3R,4S,5R,6R)-6-(aminomethyl)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxy-3-oxanyl]oxy]-4-hydroxy-6-(hydroxymethyl)-3-oxanyl]propanamide IUPAC Name: N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide Traditional Name: N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-methylol-2-octoxy-tetrahydropyran-3-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-3-yl]propionamide Formula: C29H54N2O15 MolecularWeight: 670.74346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CN)O)O)O)O)NC(=O)CC

Isomeric SMILES

CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CN)O)O)O)O)NC(=O)CC

InChI

InChI=1S/C29H54N2O15/c1-3-5-6-7-8-9-10-41-29-26(23(39)20(36)15(12-32)43-29)46-27-18(31-17(34)4-2)21(37)25(16(13-33)44-27)45-28-24(40)22(38)19(35)14(11-30)42-28/h14-16,18-29,32-33,35-40H,3-13,30H2,1-2H3,(H,31,34)/t14-,15-,16-,18-,19+,20-,21-,22+,23+,24-,25-,26+,27+,28+,29+/m1/s1