(3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2R,3R,4R,5S,6R)-3-azanyl-6-[[2-(4-fluorophenyl)ethylamino]methyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol

Systemtic Name: (3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2R,3R,4R,5S,6R)-3-azanyl-6-[[2-(4-fluorophenyl)ethylamino]methyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol Openeye Name: (3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-[[2-(4-fluorophenyl)ethylamino]methyl]-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-tetrahydropyran-3,4-diol CAS Name: (3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[[(2R,3R,4R,5S,6R)-3-amino-6-[[2-(4-fluorophenyl)ethylamino]methyl]-4,5-dihydroxy-2-oxanyl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy]oxane-3,4-diol IUPAC Name: (3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-[[2-(4-fluorophenyl)ethylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol Traditional Name: (3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-[[2-(4-fluorophenyl)ethylamino]methyl]-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]oxy-tetrahydropyran-3,4-diol Formula: C31H53FN6O13 MolecularWeight: 736.783323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CNCCC3=CC=C(C=C3)F)O)O)N)OC4C(C(C(O4)CO)OC5C(C(C(C(O5)CN)O)O)N)O)O)N

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CNCCC3=CC=C(C=C3)F)O)O)N)O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H](C(O5)CN)O)O)N)O)O)N

InChI

InChI=1S/C31H53FN6O13/c32-12-3-1-11(2-4-12)5-6-38-9-16-22(42)24(44)19(37)30(47-16)49-26-14(35)7-13(34)20(40)28(26)51-31-25(45)27(17(10-39)48-31)50-29-18(36)23(43)21(41)15(8-33)46-29/h1-4,13-31,38-45H,5-10,33-37H2/t13-,14+,15?,16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+/m1/s1