(3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[(1R,2R,3S,5R,6S)-2-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(propylamino)oxan-2-yl]oxy-6-oxidanyl-3,5-bis(propylamino)cyclohexyl]oxy-4-oxidanyl-oxolan-3-yl]oxy-5-(propylamino)-2-(propylaminomethyl)oxane-3,4-diol

Systemtic Name: (3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[(1R,2R,3S,5R,6S)-2-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(propylamino)oxan-2-yl]oxy-6-oxidanyl-3,5-bis(propylamino)cyclohexyl]oxy-4-oxidanyl-oxolan-3-yl]oxy-5-(propylamino)-2-(propylaminomethyl)oxane-3,4-diol Openeye Name: (3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(propylamino)tetrahydropyran-2-yl]oxy-6-hydroxy-3,5-bis(propylamino)cyclohexoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-5-(propylamino)-2-(propylaminomethyl)tetrahydropyran-3,4-diol CAS Name: (3S,4R,5R,6R)-6-[[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(propylamino)-2-oxanyl]oxy]-6-hydroxy-3,5-bis(propylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy]-5-(propylamino)-2-(propylaminomethyl)oxane-3,4-diol IUPAC Name: (3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(propylamino)oxan-2-yl]oxy-6-hydroxy-3,5-bis(propylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-(propylamino)-2-(propylaminomethyl)oxane-3,4-diol Traditional Name: (3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-methylol-3-(propylamino)tetrahydropyran-2-yl]oxy-6-hydroxy-3,5-bis(propylamino)cyclohexoxy]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]oxy-5-(propylamino)-2-(propylaminomethyl)tetrahydropyran-3,4-diol Formula: C38H75N5O14 MolecularWeight: 826.0272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1C(C(C(C(O1)OC2C(OC(C2O)OC3C(C(CC(C3OC4C(C(C(C(O4)CO)O)O)NCCC)NCCC)NCCC)O)CO)NCCC)O)O

Isomeric SMILES

CCCNCC1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NCCC)NCCC)NCCC)O)CO)NCCC)O)O

InChI

InChI=1S/C38H75N5O14/c1-6-11-39-17-22-28(47)30(49)25(42-14-9-4)36(52-22)56-34-24(19-45)54-38(32(34)51)57-35-27(46)20(40-12-7-2)16-21(41-13-8-3)33(35)55-37-26(43-15-10-5)31(50)29(48)23(18-44)53-37/h20-51H,6-19H2,1-5H3/t20-,21+,22?,23-,24-,25-,26-,27+,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38+/m1/s1